CS-0589052
1-((6-Chloropyridin-3-yl)methyl)-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
Manufacturer: ChemScene
CAS Number: 865660-40-8
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₄H₉ClF₃N₃O
Molecular Weight
327.69
Synonyms
1-[(6-Chloropyridin-3-yl)methyl]-6-methyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILES
CC1=CC(=C(C(=O)N1CC2=CN=C(C=C2)Cl)C#N)C(F)(F)F
Tpsa
58.68
Logp
3.1439
H Acceptors
4
H Donors
0
Rotatable Bonds
2
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₉ClF₃N₃O
Molecular Weight: 327.69
Synonyms: 1-[(6-Chloropyridin-3-yl)methyl]-6-methyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILES: CC1=CC(=C(C(=O)N1CC2=CN=C(C=C2)Cl)C#N)C(F)(F)F
Tpsa: 58.68
Logp: 3.1439
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₉ClF₃N₃O
Molecular Weight:
327.69
Synonyms:
1-[(6-Chloropyridin-3-yl)methyl]-6-methyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILES:
CC1=CC(=C(C(=O)N1CC2=CN=C(C=C2)Cl)C#N)C(F)(F)F
Tpsa:
58.68
Logp:
3.1439
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₄N₄O₅
Molecular Weight: 376.41
Synonyms: None
SMILES: CN(C)C=NC(=O)C1CCCN(C1)CC2=C(C=CC=C2[N+](=O)[O-])C(=O)OC
Tpsa: 105.35
Logp: 1.7099
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₄N₄O₅
Molecular Weight:
376.41
Synonyms:
None
SMILES:
CN(C)C=NC(=O)C1CCCN(C1)CC2=C(C=CC=C2[N+](=O)[O-])C(=O)OC
Tpsa:
105.35
Logp:
1.7099
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₀ClN₃S
Molecular Weight: 321.87
Synonyms: None
SMILES: CC1CN(CCN1C2=CC=CC(=C2)C)CC3=CN=C(S3)Cl
Tpsa: 19.37
Logp: 3.81562
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₀ClN₃S
Molecular Weight:
321.87
Synonyms:
None
SMILES:
CC1CN(CCN1C2=CC=CC(=C2)C)CC3=CN=C(S3)Cl
Tpsa:
19.37
Logp:
3.81562
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₀ClN₅O₂
Molecular Weight: 315.71
Synonyms: 1,6-DIAMINO-4-(3-CHLORO-4-METHOXYPHENYL)-2-OXO-1,2-DIHYDRO-3,5-PYRIDINEDICARBONITRILE
SMILES: N#CC1=C(C2=CC=C(OC)C(Cl)=C2)C(C#N)=C(N)N(N)C1=O
Tpsa: 130.85
Logp: 1.21666
H Acceptors: 7
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₀ClN₅O₂
Molecular Weight:
315.71
Synonyms:
1,6-DIAMINO-4-(3-CHLORO-4-METHOXYPHENYL)-2-OXO-1,2-DIHYDRO-3,5-PYRIDINEDICARBONITRILE
SMILES:
N#CC1=C(C2=CC=C(OC)C(Cl)=C2)C(C#N)=C(N)N(N)C1=O
Tpsa:
130.85
Logp:
1.21666
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
2