AA36448
1261973-39-0 | 2-[Benzo(b)thiophen-2-yl]-3-hydroxypyridine
Manufacturer: A2B Chem
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CatalogNumber
AA36448
ChemicalName
2-[Benzo(b)thiophen-2-yl]-3-hydroxypyridine
CasNumber
1261973-39-0
MolecularFormula
C13H9NOS
MolecularWeight
227.2817
MdlNumber
MFCD18312242
Smiles
Oc1cccnc1c1cc2c(s1)cccc2
Complexity
248
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.2
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CatalogNumber: AA36448
ChemicalName: 2-[Benzo(b)thiophen-2-yl]-3-hydroxypyridine
CasNumber: 1261973-39-0
MolecularFormula: C13H9NOS
MolecularWeight: 227.2817
MdlNumber: MFCD18312242
Smiles: Oc1cccnc1c1cc2c(s1)cccc2
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AA36448
ChemicalName:
2-[Benzo(b)thiophen-2-yl]-3-hydroxypyridine
CasNumber:
1261973-39-0
MolecularFormula:
C13H9NOS
MolecularWeight:
227.2817
MdlNumber:
MFCD18312242
Smiles:
Oc1cccnc1c1cc2c(s1)cccc2
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.2
CatalogNumber: AA36449
ChemicalName: 3-(4-Formylphenyl)picolinic acid
CasNumber: 1261972-92-2
MolecularFormula: C13H9NO3
MolecularWeight: 227.2155
MdlNumber: MFCD18316849
Smiles: O=Cc1ccc(cc1)c1cccnc1C(=O)O
Complexity: 284
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AA36449
ChemicalName:
3-(4-Formylphenyl)picolinic acid
CasNumber:
1261972-92-2
MolecularFormula:
C13H9NO3
MolecularWeight:
227.2155
MdlNumber:
MFCD18316849
Smiles:
O=Cc1ccc(cc1)c1cccnc1C(=O)O
Complexity:
284
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.8
CatalogNumber: AA36450
ChemicalName: 5-Bromo-3-methyl-2-propoxypyridine
CasNumber: 1261972-34-2
MolecularFormula: C9H12BrNO
MolecularWeight: 230.1017
MdlNumber: MFCD18311904
Smiles: CCCOc1ncc(cc1C)Br
Complexity: 132
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AA36450
ChemicalName:
5-Bromo-3-methyl-2-propoxypyridine
CasNumber:
1261972-34-2
MolecularFormula:
C9H12BrNO
MolecularWeight:
230.1017
MdlNumber:
MFCD18311904
Smiles:
CCCOc1ncc(cc1C)Br
Complexity:
132
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3.1
CatalogNumber: AA36451
ChemicalName: 2-Chloro-4-(3-fluoro-4-hydroxyphenyl)benzoic acid
CasNumber: 1261972-19-3
MolecularFormula: C13H8ClFO3
MolecularWeight: 266.6522
MdlNumber: MFCD18319718
Smiles: OC(=O)c1ccc(cc1Cl)c1ccc(c(c1)F)O
Complexity: 313
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AA36451
ChemicalName:
2-Chloro-4-(3-fluoro-4-hydroxyphenyl)benzoic acid
CasNumber:
1261972-19-3
MolecularFormula:
C13H8ClFO3
MolecularWeight:
266.6522
MdlNumber:
MFCD18319718
Smiles:
OC(=O)c1ccc(cc1Cl)c1ccc(c(c1)F)O
Complexity:
313
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
3.4