AI41525
1845689-90-8 | 2-Chloro-6-(methylamino)pyridine-3-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI41525
ChemicalName
2-Chloro-6-(methylamino)pyridine-3-carbonitrile
CasNumber
1845689-90-8
MolecularFormula
C7H6ClN3
MolecularWeight
167.5956
MdlNumber
MFCD28515409
Smiles
CNc1ccc(c(n1)Cl)C#N
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.8
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CatalogNumber: AI41525
ChemicalName: 2-Chloro-6-(methylamino)pyridine-3-carbonitrile
CasNumber: 1845689-90-8
MolecularFormula: C7H6ClN3
MolecularWeight: 167.5956
MdlNumber: MFCD28515409
Smiles: CNc1ccc(c(n1)Cl)C#N
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AI41525
ChemicalName:
2-Chloro-6-(methylamino)pyridine-3-carbonitrile
CasNumber:
1845689-90-8
MolecularFormula:
C7H6ClN3
MolecularWeight:
167.5956
MdlNumber:
MFCD28515409
Smiles:
CNc1ccc(c(n1)Cl)C#N
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCn1c(C)nc2c1ccc(c2)C(=O)OCC
Complexity: 309
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCn1c(C)nc2c1ccc(c2)C(=O)OCC
Complexity:
309
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.2
CatalogNumber: AI41527
ChemicalName: Ethyl 4-bromo-5-chloro-2-nitrobenzoate
CasNumber: 1845689-93-1
MolecularFormula: C9H7BrClNO4
MolecularWeight: 308.5132
MdlNumber: MFCD28962796
Smiles: [O-][N+](=O)c1cc(Br)c(cc1C(=O)OCC)Cl
Complexity: 283
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3.3
CatalogNumber:
AI41527
ChemicalName:
Ethyl 4-bromo-5-chloro-2-nitrobenzoate
CasNumber:
1845689-93-1
MolecularFormula:
C9H7BrClNO4
MolecularWeight:
308.5132
MdlNumber:
MFCD28962796
Smiles:
[O-][N+](=O)c1cc(Br)c(cc1C(=O)OCC)Cl
Complexity:
283
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(CCn1cc(c(n1)C(F)(F)F)Br)C
Complexity: 208
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CCn1cc(c(n1)C(F)(F)F)Br)C
Complexity:
208
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.5