6-fluoro-7-methyl-1-pyridin-2-ylbenzimidazole

C13H10FN3 — CID 141346129

IUPAC6-fluoro-7-methyl-1-pyridin-2-ylbenzimidazole
SMILESCc1c(F)ccc2ncn(-c3ccccn3)c12
InChIInChI=1S/C13H10FN3/c1-9-10(14)5-6-11-13(9)17(8-16-11)12-4-2-3-7-15-12/h2-8H,1H3
InChIKeyAOMDPECUDJZSJG-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.87
Rot. Bonds1

About 6-fluoro-7-methyl-1-pyridin-2-ylbenzimidazole

6-fluoro-7-methyl-1-pyridin-2-ylbenzimidazole (PubChem CID 141346129) has the molecular formula C13H10FN3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 6-fluoro-7-methyl-1-pyridin-2-ylbenzimidazole.

Molecular Properties

Compound Name6-fluoro-7-methyl-1-pyridin-2-ylbenzimidazole
PubChem CID141346129
Molecular FormulaC13H10FN3
Molecular Weight227.24 g/mol
Exact Mass227.09
IUPAC Name6-fluoro-7-methyl-1-pyridin-2-ylbenzimidazole
SMILESCc1c(F)ccc2ncn(-c3ccccn3)c12
InChIInChI=1S/C13H10FN3/c1-9-10(14)5-6-11-13(9)17(8-16-11)12-4-2-3-7-15-12/h2-8H,1H3
InChIKeyAOMDPECUDJZSJG-UHFFFAOYSA-N
XLogP2.87
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-methyl-1-pyridin-2-ylbenzimidazole?
The IUPAC name of 6-fluoro-7-methyl-1-pyridin-2-ylbenzimidazole (CID 141346129) is 6-fluoro-7-methyl-1-pyridin-2-ylbenzimidazole.
What is the SMILES notation for 6-fluoro-7-methyl-1-pyridin-2-ylbenzimidazole?
The canonical SMILES for 6-fluoro-7-methyl-1-pyridin-2-ylbenzimidazole is Cc1c(F)ccc2ncn(-c3ccccn3)c12.
What is the InChIKey of 6-fluoro-7-methyl-1-pyridin-2-ylbenzimidazole?
The InChIKey is AOMDPECUDJZSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3/c1-9-10(14)5-6-11-13(9)17(8-16-11)12-4-2-3-7-15-12/h2-8H,1H3.
What are the key properties of 6-fluoro-7-methyl-1-pyridin-2-ylbenzimidazole?
6-fluoro-7-methyl-1-pyridin-2-ylbenzimidazole has a molecular weight of 227.24 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-methyl-1-pyridin-2-ylbenzimidazole is sourced from PubChem (CID 141346129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).