AD51305
893735-01-8 | Methyl 5-(thiophen-2-yl)pyridine-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD51305
ChemicalName
Methyl 5-(thiophen-2-yl)pyridine-3-carboxylate
CasNumber
893735-01-8
MolecularFormula
C11H9NO2S
MolecularWeight
219.2597
MdlNumber
MFCD06802198
Smiles
COC(=O)c1cncc(c1)c1cccs1
Complexity
235
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
2
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CatalogNumber: AD51305
ChemicalName: Methyl 5-(thiophen-2-yl)pyridine-3-carboxylate
CasNumber: 893735-01-8
MolecularFormula: C11H9NO2S
MolecularWeight: 219.2597
MdlNumber: MFCD06802198
Smiles: COC(=O)c1cncc(c1)c1cccs1
Complexity: 235
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AD51305
ChemicalName:
Methyl 5-(thiophen-2-yl)pyridine-3-carboxylate
CasNumber:
893735-01-8
MolecularFormula:
C11H9NO2S
MolecularWeight:
219.2597
MdlNumber:
MFCD06802198
Smiles:
COC(=O)c1cncc(c1)c1cccs1
Complexity:
235
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: AD51306
ChemicalName: 3-[4-(Trifluoromethyl)phenyl]benzonitrile
CasNumber: 893734-90-2
MolecularFormula: C14H8F3N
MolecularWeight: 247.2152
MdlNumber: MFCD06802009
Smiles: N#Cc1cccc(c1)c1ccc(cc1)C(F)(F)F
Complexity: 320
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 4.2
CatalogNumber:
AD51306
ChemicalName:
3-[4-(Trifluoromethyl)phenyl]benzonitrile
CasNumber:
893734-90-2
MolecularFormula:
C14H8F3N
MolecularWeight:
247.2152
MdlNumber:
MFCD06802009
Smiles:
N#Cc1cccc(c1)c1ccc(cc1)C(F)(F)F
Complexity:
320
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
4.2
CatalogNumber: AD51307
ChemicalName: Methyl 5-(4-fluorophenyl)nicotinate
CasNumber: 893734-77-5
MolecularFormula: C13H10FNO2
MolecularWeight: 231.2224
MdlNumber: MFCD06802188
Smiles: COC(=O)c1cncc(c1)c1ccc(cc1)F
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AD51307
ChemicalName:
Methyl 5-(4-fluorophenyl)nicotinate
CasNumber:
893734-77-5
MolecularFormula:
C13H10FNO2
MolecularWeight:
231.2224
MdlNumber:
MFCD06802188
Smiles:
COC(=O)c1cncc(c1)c1ccc(cc1)F
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.4
CatalogNumber: AD51308
ChemicalName: 4-[3-(Trifluoromethyl)phenyl]benzonitrile
CasNumber: 893734-56-0
MolecularFormula: C14H8F3N
MolecularWeight: 247.2152
MdlNumber: MFCD05979301
Smiles: N#Cc1ccc(cc1)c1cccc(c1)C(F)(F)F
Complexity: 320
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 4.2
CatalogNumber:
AD51308
ChemicalName:
4-[3-(Trifluoromethyl)phenyl]benzonitrile
CasNumber:
893734-56-0
MolecularFormula:
C14H8F3N
MolecularWeight:
247.2152
MdlNumber:
MFCD05979301
Smiles:
N#Cc1ccc(cc1)c1cccc(c1)C(F)(F)F
Complexity:
320
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
4.2