5-(5,6-difluoro-1H-benzimidazol-2-yl)pyridin-3-ol

C12H7F2N3O — CID 63852563

IUPAC5-(5,6-difluoro-1H-benzimidazol-2-yl)pyridin-3-ol
SMILESOc1cncc(-c2nc3cc(F)c(F)cc3[nH]2)c1
InChIInChI=1S/C12H7F2N3O/c13-8-2-10-11(3-9(8)14)17-12(16-10)6-1-7(18)5-15-4-6/h1-5,18H,(H,16,17)
InChIKeyFTSFIYPLTRTCTO-UHFFFAOYSA-N
MW247.20 g/mol
LogP2.61
Rot. Bonds1

About 5-(5,6-difluoro-1H-benzimidazol-2-yl)pyridin-3-ol

5-(5,6-difluoro-1H-benzimidazol-2-yl)pyridin-3-ol (PubChem CID 63852563) has the molecular formula C12H7F2N3O and a molecular weight of 247.20 g/mol. Its IUPAC name is 5-(5,6-difluoro-1H-benzimidazol-2-yl)pyridin-3-ol.

Molecular Properties

Compound Name5-(5,6-difluoro-1H-benzimidazol-2-yl)pyridin-3-ol
PubChem CID63852563
Molecular FormulaC12H7F2N3O
Molecular Weight247.20 g/mol
Exact Mass247.06
IUPAC Name5-(5,6-difluoro-1H-benzimidazol-2-yl)pyridin-3-ol
SMILESOc1cncc(-c2nc3cc(F)c(F)cc3[nH]2)c1
InChIInChI=1S/C12H7F2N3O/c13-8-2-10-11(3-9(8)14)17-12(16-10)6-1-7(18)5-15-4-6/h1-5,18H,(H,16,17)
InChIKeyFTSFIYPLTRTCTO-UHFFFAOYSA-N
XLogP2.61
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-difluoro-1H-benzimidazol-2-yl)pyridin-3-ol?
The IUPAC name of 5-(5,6-difluoro-1H-benzimidazol-2-yl)pyridin-3-ol (CID 63852563) is 5-(5,6-difluoro-1H-benzimidazol-2-yl)pyridin-3-ol.
What is the SMILES notation for 5-(5,6-difluoro-1H-benzimidazol-2-yl)pyridin-3-ol?
The canonical SMILES for 5-(5,6-difluoro-1H-benzimidazol-2-yl)pyridin-3-ol is Oc1cncc(-c2nc3cc(F)c(F)cc3[nH]2)c1.
What is the InChIKey of 5-(5,6-difluoro-1H-benzimidazol-2-yl)pyridin-3-ol?
The InChIKey is FTSFIYPLTRTCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2N3O/c13-8-2-10-11(3-9(8)14)17-12(16-10)6-1-7(18)5-15-4-6/h1-5,18H,(H,16,17).
What are the key properties of 5-(5,6-difluoro-1H-benzimidazol-2-yl)pyridin-3-ol?
5-(5,6-difluoro-1H-benzimidazol-2-yl)pyridin-3-ol has a molecular weight of 247.20 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-difluoro-1H-benzimidazol-2-yl)pyridin-3-ol is sourced from PubChem (CID 63852563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).