AA41726
1314988-17-4 | Methyl 5-(6-aminopyridin-3-yl)-2-fluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA41726
ChemicalName
Methyl 5-(6-aminopyridin-3-yl)-2-fluorobenzoate
CasNumber
1314988-17-4
MolecularFormula
C13H11FN2O2
MolecularWeight
246.237
MdlNumber
MFCD19684172
Smiles
COC(=O)c1cc(ccc1F)c1ccc(nc1)N
Complexity
301
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AA41726
ChemicalName: Methyl 5-(6-aminopyridin-3-yl)-2-fluorobenzoate
CasNumber: 1314988-17-4
MolecularFormula: C13H11FN2O2
MolecularWeight: 246.237
MdlNumber: MFCD19684172
Smiles: COC(=O)c1cc(ccc1F)c1ccc(nc1)N
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AA41726
ChemicalName:
Methyl 5-(6-aminopyridin-3-yl)-2-fluorobenzoate
CasNumber:
1314988-17-4
MolecularFormula:
C13H11FN2O2
MolecularWeight:
246.237
MdlNumber:
MFCD19684172
Smiles:
COC(=O)c1cc(ccc1F)c1ccc(nc1)N
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: AA41727
ChemicalName: 5-Bromo-3-butyl-1H-indazole
CasNumber: 1314988-13-0
MolecularFormula: C11H13BrN2
MolecularWeight: 253.1383
MdlNumber: MFCD19684137
Smiles: CCCCc1n[nH]c2c1cc(Br)cc2
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 4
CatalogNumber:
AA41727
ChemicalName:
5-Bromo-3-butyl-1H-indazole
CasNumber:
1314988-13-0
MolecularFormula:
C11H13BrN2
MolecularWeight:
253.1383
MdlNumber:
MFCD19684137
Smiles:
CCCCc1n[nH]c2c1cc(Br)cc2
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cc2ncn(c2cc1F)Cc1ccccc1
Complexity: 283
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cc2ncn(c2cc1F)Cc1ccccc1
Complexity:
283
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.8
CatalogNumber: AA41729
ChemicalName: 4-Benzyloxy-2'-(trifluoromethyl)biphenyl
CasNumber: 1314988-09-4
MolecularFormula: C20H15F3O
MolecularWeight: 328.3277
MdlNumber: MFCD19684220
Smiles: FC(c1ccccc1c1ccc(cc1)OCc1ccccc1)(F)F
Complexity: 368
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 5.9
CatalogNumber:
AA41729
ChemicalName:
4-Benzyloxy-2'-(trifluoromethyl)biphenyl
CasNumber:
1314988-09-4
MolecularFormula:
C20H15F3O
MolecularWeight:
328.3277
MdlNumber:
MFCD19684220
Smiles:
FC(c1ccccc1c1ccc(cc1)OCc1ccccc1)(F)F
Complexity:
368
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
5.9