CS-0528915
5-Cyano-4-(ethoxycarbonyl)-6-oxo-1,6-dihydropyridine-2-carboxylic acid
Manufacturer: ChemScene
CAS Number: 34086-91-4
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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
C₁₀H₈N₂O₅
Molecular Weight
236.18
Synonyms
2,4-Pyridinedicarboxylicacid, 5-cyano-1,6-dihydro-6-oxo-, 4-ethyl ester
SMILES
O=C(C1=CC(C(OCC)=O)=C(C#N)C(N1)=O)O
Tpsa
120.25
Logp
0.12148
H Acceptors
5
H Donors
2
Rotatable Bonds
3
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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: C₁₀H₈N₂O₅
Molecular Weight: 236.18
Synonyms: 2,4-Pyridinedicarboxylicacid, 5-cyano-1,6-dihydro-6-oxo-, 4-ethyl ester
SMILES: O=C(C1=CC(C(OCC)=O)=C(C#N)C(N1)=O)O
Tpsa: 120.25
Logp: 0.12148
H Acceptors: 5
H Donors: 2
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:
C₁₀H₈N₂O₅
Molecular Weight:
236.18
Synonyms:
2,4-Pyridinedicarboxylicacid, 5-cyano-1,6-dihydro-6-oxo-, 4-ethyl ester
SMILES:
O=C(C1=CC(C(OCC)=O)=C(C#N)C(N1)=O)O
Tpsa:
120.25
Logp:
0.12148
H Acceptors:
5
H Donors:
2
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: C₆H₇N₃O₂
Molecular Weight: 153.14
Synonyms: None
SMILES: O=C(O)CC1=CN=C(N)N=C1
Tpsa: 89.1
Logp: -0.3141
H Acceptors: 4
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:
C₆H₇N₃O₂
Molecular Weight:
153.14
Synonyms:
None
SMILES:
O=C(O)CC1=CN=C(N)N=C1
Tpsa:
89.1
Logp:
-0.3141
H Acceptors:
4
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: C₁₂H₁₂N₂O₄
Molecular Weight: 248.23
Synonyms: diethyl 5-cyano-2,4-pyridinedicarboxylate
SMILES: O=C(C1=NC=C(C#N)C(C(OCC)=O)=C1)OCC
Tpsa: 89.28
Logp: 1.30668
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₂N₂O₄
Molecular Weight:
248.23
Synonyms:
diethyl 5-cyano-2,4-pyridinedicarboxylate
SMILES:
O=C(C1=NC=C(C#N)C(C(OCC)=O)=C1)OCC
Tpsa:
89.28
Logp:
1.30668
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₉NO₄
Molecular Weight: 207.18
Synonyms: None
SMILES: O=C1C(N)=CC2=CC=C(O)C(OC)=C2O1
Tpsa: 85.69
Logp: 1.0894
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₉NO₄
Molecular Weight:
207.18
Synonyms:
None
SMILES:
O=C1C(N)=CC2=CC=C(O)C(OC)=C2O1
Tpsa:
85.69
Logp:
1.0894
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
1