AF87307
316166-47-9 | Methyl 5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF87307
ChemicalName
Methyl 5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylate
CasNumber
316166-47-9
MolecularFormula
C7H6ClNO3
MolecularWeight
187.58044
MdlNumber
MFCD03844853
Smiles
COC(=O)c1c[nH]c(=O)c(c1)Cl
Complexity
293
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.6
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CatalogNumber: AF87307
ChemicalName: Methyl 5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylate
CasNumber: 316166-47-9
MolecularFormula: C7H6ClNO3
MolecularWeight: 187.58044
MdlNumber: MFCD03844853
Smiles: COC(=O)c1c[nH]c(=O)c(c1)Cl
Complexity: 293
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.6
CatalogNumber:
AF87307
ChemicalName:
Methyl 5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylate
CasNumber:
316166-47-9
MolecularFormula:
C7H6ClNO3
MolecularWeight:
187.58044
MdlNumber:
MFCD03844853
Smiles:
COC(=O)c1c[nH]c(=O)c(c1)Cl
Complexity:
293
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(=O)c2c([nH]1)c(OC)ccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(=O)c2c([nH]1)c(OC)ccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cc(O)c2c(n1)c(Cl)ccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cc(O)c2c(n1)c(Cl)ccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AF87310
ChemicalName: 6-Bromo-n,n-dimethylpyridin-3-amine
CasNumber: 39856-56-9
MolecularFormula: C7H9BrN2
MolecularWeight: 201.06375999999997
MdlNumber: MFCD00100094
Smiles: Brc1ccc(cn1)N(C)C
Complexity: 106
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AF87310
ChemicalName:
6-Bromo-n,n-dimethylpyridin-3-amine
CasNumber:
39856-56-9
MolecularFormula:
C7H9BrN2
MolecularWeight:
201.06375999999997
MdlNumber:
MFCD00100094
Smiles:
Brc1ccc(cn1)N(C)C
Complexity:
106
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2