AI14888
1227594-84-4 | Methyl 2-hydroxy-5-(trifluoromethyl)pyridine-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI14888
ChemicalName
Methyl 2-hydroxy-5-(trifluoromethyl)pyridine-4-carboxylate
CasNumber
1227594-84-4
MolecularFormula
C8H6F3NO3
MolecularWeight
221.1333
MdlNumber
MFCD16611630
Smiles
COC(=O)c1cc(O)ncc1C(F)(F)F
Complexity
368
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.2
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CatalogNumber: AI14888
ChemicalName: Methyl 2-hydroxy-5-(trifluoromethyl)pyridine-4-carboxylate
CasNumber: 1227594-84-4
MolecularFormula: C8H6F3NO3
MolecularWeight: 221.1333
MdlNumber: MFCD16611630
Smiles: COC(=O)c1cc(O)ncc1C(F)(F)F
Complexity: 368
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.2
CatalogNumber:
AI14888
ChemicalName:
Methyl 2-hydroxy-5-(trifluoromethyl)pyridine-4-carboxylate
CasNumber:
1227594-84-4
MolecularFormula:
C8H6F3NO3
MolecularWeight:
221.1333
MdlNumber:
MFCD16611630
Smiles:
COC(=O)c1cc(O)ncc1C(F)(F)F
Complexity:
368
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.2
CatalogNumber: AI14889
ChemicalName: Methyl 2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate
CasNumber: 1227595-16-5
MolecularFormula: C9H8F3NO3
MolecularWeight: 235.1599
MdlNumber: MFCD16611642
Smiles: COc1ncc(c(c1)C(=O)OC)C(F)(F)F
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AI14889
ChemicalName:
Methyl 2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate
CasNumber:
1227595-16-5
MolecularFormula:
C9H8F3NO3
MolecularWeight:
235.1599
MdlNumber:
MFCD16611642
Smiles:
COc1ncc(c(c1)C(=O)OC)C(F)(F)F
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Ic1ccnc(c1C)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Ic1ccnc(c1C)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI14891
ChemicalName: 2,4-Dichloro-5-methoxypyridine
CasNumber: 1227597-40-1
MolecularFormula: C6H5Cl2NO
MolecularWeight: 178.016
MdlNumber: MFCD16610792
Smiles: COc1cnc(cc1Cl)Cl
Complexity: 112
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AI14891
ChemicalName:
2,4-Dichloro-5-methoxypyridine
CasNumber:
1227597-40-1
MolecularFormula:
C6H5Cl2NO
MolecularWeight:
178.016
MdlNumber:
MFCD16610792
Smiles:
COc1cnc(cc1Cl)Cl
Complexity:
112
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.4