4-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)pyridin-3-ol

C12H7ClFN3O — CID 136951446

IUPAC4-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)pyridin-3-ol
SMILESOc1cnccc1-c1nc2c(F)c(Cl)ccc2[nH]1
InChIInChI=1S/C12H7ClFN3O/c13-7-1-2-8-11(10(7)14)17-12(16-8)6-3-4-15-5-9(6)18/h1-5,18H,(H,16,17)
InChIKeyYWSAUWADKOGKRH-UHFFFAOYSA-N
MW263.66 g/mol
LogP3.12
Rot. Bonds1

About 4-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)pyridin-3-ol

4-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)pyridin-3-ol (PubChem CID 136951446) has the molecular formula C12H7ClFN3O and a molecular weight of 263.66 g/mol. Its IUPAC name is 4-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)pyridin-3-ol.

Molecular Properties

Compound Name4-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)pyridin-3-ol
PubChem CID136951446
Molecular FormulaC12H7ClFN3O
Molecular Weight263.66 g/mol
Exact Mass263.03
IUPAC Name4-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)pyridin-3-ol
SMILESOc1cnccc1-c1nc2c(F)c(Cl)ccc2[nH]1
InChIInChI=1S/C12H7ClFN3O/c13-7-1-2-8-11(10(7)14)17-12(16-8)6-3-4-15-5-9(6)18/h1-5,18H,(H,16,17)
InChIKeyYWSAUWADKOGKRH-UHFFFAOYSA-N
XLogP3.12
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.66
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-fluoro-2-(5-fluoro-2-pyridinyl)-1H-benzimidazole
CID 114271734
4-bromo-2-(3-chloro-4-pyridinyl)-1H-benzimidazole
CID 114271455
5-chloro-2-(chloromethyl)-4-fluoro-1H-benzimidazole
CID 130658186
2-(3-chloro-4-pyridinyl)-1H-benzimidazole-4-carbonitrile
CID 104720679
4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)phenol
CID 137011269
4-(4-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903772
2-(3-chloro-2-fluorophenyl)-1H-benzimidazol-4-amine
CID 81267619
5-chloro-2-(2-fluorophenyl)-4-methyl-1H-benzimidazole
CID 112741138
3-(4-chloro-1H-benzimidazol-2-yl)benzene-1,2-diol
CID 136928259
2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 126972905
2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)acetonitrile
CID 130987533
2-(2,3-dichlorophenyl)-4-fluoro-1H-benzimidazole
CID 60977717

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)pyridin-3-ol?
The IUPAC name of 4-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)pyridin-3-ol (CID 136951446) is 4-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)pyridin-3-ol.
What is the SMILES notation for 4-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)pyridin-3-ol?
The canonical SMILES for 4-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)pyridin-3-ol is Oc1cnccc1-c1nc2c(F)c(Cl)ccc2[nH]1.
What is the InChIKey of 4-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)pyridin-3-ol?
The InChIKey is YWSAUWADKOGKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3O/c13-7-1-2-8-11(10(7)14)17-12(16-8)6-3-4-15-5-9(6)18/h1-5,18H,(H,16,17).
What are the key properties of 4-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)pyridin-3-ol?
4-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)pyridin-3-ol has a molecular weight of 263.66 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)pyridin-3-ol is sourced from PubChem (CID 136951446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).