6-fluoro-1-hydroxy-2-pyridin-4-ylbenzimidazole

C12H8FN3O — CID 124908622

IUPAC6-fluoro-1-hydroxy-2-pyridin-4-ylbenzimidazole
SMILESOn1c(-c2ccncc2)nc2ccc(F)cc21
InChIInChI=1S/C12H8FN3O/c13-9-1-2-10-11(7-9)16(17)12(15-10)8-3-5-14-6-4-8/h1-7,17H
InChIKeyRKRKMEVXFWKIPL-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.47
Rot. Bonds1

About 6-fluoro-1-hydroxy-2-pyridin-4-ylbenzimidazole

6-fluoro-1-hydroxy-2-pyridin-4-ylbenzimidazole (PubChem CID 124908622) has the molecular formula C12H8FN3O and a molecular weight of 229.21 g/mol. Its IUPAC name is 6-fluoro-1-hydroxy-2-pyridin-4-ylbenzimidazole.

Molecular Properties

Compound Name6-fluoro-1-hydroxy-2-pyridin-4-ylbenzimidazole
PubChem CID124908622
Molecular FormulaC12H8FN3O
Molecular Weight229.21 g/mol
Exact Mass229.07
IUPAC Name6-fluoro-1-hydroxy-2-pyridin-4-ylbenzimidazole
SMILESOn1c(-c2ccncc2)nc2ccc(F)cc21
InChIInChI=1S/C12H8FN3O/c13-9-1-2-10-11(7-9)16(17)12(15-10)8-3-5-14-6-4-8/h1-7,17H
InChIKeyRKRKMEVXFWKIPL-UHFFFAOYSA-N
XLogP2.47
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-6-nitro-2-pyridin-4-ylbenzimidazole
CID 59754587
6-fluoro-1-hydroxybenzimidazole-2-carboxylic acid
CID 124908404
3-hydroxy-2-phenylbenzimidazole-5-carboxylic acid
CID 10083635
2-[4-[3-(4-fluorophenyl)prop-2-enoylamino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid
CID 67068824
1-hydroxy-2-phenylbenzimidazole
CID 606555
1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)benzimidazole
CID 66614356
1-hydroxy-2-(4-methylphenyl)-6-nitrobenzimidazole
CID 59754379
5-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol
CID 107704544
4-(6-ethyl-1-hydroxybenzimidazol-2-yl)aniline
CID 91426634
3-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide
CID 11589237
[2-(4-aminophenyl)-3-hydroxybenzimidazol-5-yl]-methoxyazanium
CID 143261168
4-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol
CID 136885635

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-hydroxy-2-pyridin-4-ylbenzimidazole?
The IUPAC name of 6-fluoro-1-hydroxy-2-pyridin-4-ylbenzimidazole (CID 124908622) is 6-fluoro-1-hydroxy-2-pyridin-4-ylbenzimidazole.
What is the SMILES notation for 6-fluoro-1-hydroxy-2-pyridin-4-ylbenzimidazole?
The canonical SMILES for 6-fluoro-1-hydroxy-2-pyridin-4-ylbenzimidazole is On1c(-c2ccncc2)nc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1-hydroxy-2-pyridin-4-ylbenzimidazole?
The InChIKey is RKRKMEVXFWKIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O/c13-9-1-2-10-11(7-9)16(17)12(15-10)8-3-5-14-6-4-8/h1-7,17H.
What are the key properties of 6-fluoro-1-hydroxy-2-pyridin-4-ylbenzimidazole?
6-fluoro-1-hydroxy-2-pyridin-4-ylbenzimidazole has a molecular weight of 229.21 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-hydroxy-2-pyridin-4-ylbenzimidazole is sourced from PubChem (CID 124908622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).