5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-3-ol

C13H10FN3O — CID 63850836

IUPAC5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-3-ol
SMILESCn1c(-c2cncc(O)c2)nc2cc(F)ccc21
InChIInChI=1S/C13H10FN3O/c1-17-12-3-2-9(14)5-11(12)16-13(17)8-4-10(18)7-15-6-8/h2-7,18H,1H3
InChIKeyMGRWKIXWIHRBNK-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.48
Rot. Bonds1

About 5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-3-ol

5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-3-ol (PubChem CID 63850836) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-3-ol.

Molecular Properties

Compound Name5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-3-ol
PubChem CID63850836
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-3-ol
SMILESCn1c(-c2cncc(O)c2)nc2cc(F)ccc21
InChIInChI=1S/C13H10FN3O/c1-17-12-3-2-9(14)5-11(12)16-13(17)8-4-10(18)7-15-6-8/h2-7,18H,1H3
InChIKeyMGRWKIXWIHRBNK-UHFFFAOYSA-N
XLogP2.48
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-3-ol?
The IUPAC name of 5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-3-ol (CID 63850836) is 5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-3-ol.
What is the SMILES notation for 5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-3-ol?
The canonical SMILES for 5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-3-ol is Cn1c(-c2cncc(O)c2)nc2cc(F)ccc21.
What is the InChIKey of 5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-3-ol?
The InChIKey is MGRWKIXWIHRBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c1-17-12-3-2-9(14)5-11(12)16-13(17)8-4-10(18)7-15-6-8/h2-7,18H,1H3.
What are the key properties of 5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-3-ol?
5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-3-ol has a molecular weight of 243.24 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-3-ol is sourced from PubChem (CID 63850836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).