3-(5-bromo-2-fluorophenyl)imidazo[1,5-a]pyridine-1-carbonitrile

C14H7BrFN3 — CID 116836636

IUPAC3-(5-bromo-2-fluorophenyl)imidazo[1,5-a]pyridine-1-carbonitrile
SMILESN#Cc1nc(-c2cc(Br)ccc2F)n2ccccc12
InChIInChI=1S/C14H7BrFN3/c15-9-4-5-11(16)10(7-9)14-18-12(8-17)13-3-1-2-6-19(13)14/h1-7H
InChIKeyGCRBFBYBSJJSFS-UHFFFAOYSA-N
MW316.13 g/mol
LogP3.77
Rot. Bonds1

About 3-(5-bromo-2-fluorophenyl)imidazo[1,5-a]pyridine-1-carbonitrile

3-(5-bromo-2-fluorophenyl)imidazo[1,5-a]pyridine-1-carbonitrile (PubChem CID 116836636) has the molecular formula C14H7BrFN3 and a molecular weight of 316.13 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)imidazo[1,5-a]pyridine-1-carbonitrile.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)imidazo[1,5-a]pyridine-1-carbonitrile
PubChem CID116836636
Molecular FormulaC14H7BrFN3
Molecular Weight316.13 g/mol
Exact Mass314.98
IUPAC Name3-(5-bromo-2-fluorophenyl)imidazo[1,5-a]pyridine-1-carbonitrile
SMILESN#Cc1nc(-c2cc(Br)ccc2F)n2ccccc12
InChIInChI=1S/C14H7BrFN3/c15-9-4-5-11(16)10(7-9)14-18-12(8-17)13-3-1-2-6-19(13)14/h1-7H
InChIKeyGCRBFBYBSJJSFS-UHFFFAOYSA-N
XLogP3.77
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.13
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-2-fluorophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 116836651
3-(3-methylthiophen-2-yl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 116836642
1-bromo-3-(2,4-difluorophenyl)imidazo[1,5-a]pyridine
CID 116836595
4-bromo-2-(3-phenylimidazo[1,5-a]pyridin-1-yl)phenol
CID 155115095
3-(4-amino-3-methoxyphenyl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 84760106
3-(1-aminocyclopropyl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 116984824
1-(4-chlorophenyl)-3-(2-fluorophenyl)imidazo[1,5-a]pyridine
CID 132581655
5-(5-bromo-2-fluorophenyl)-1,2-oxazole-3-carbonitrile
CID 116858941
3-(2-fluorophenyl)-1-phenylimidazo[1,5-a]pyridine
CID 132581650
2-(5-bromo-2-fluorophenyl)phenol
CID 83128574
6-bromo-3-fluoropyridine-2-carbonitrile
CID 86333894
3-(5-bromo-2-fluorophenyl)-4-phenyl-1,2,4-triazole
CID 115393323

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)imidazo[1,5-a]pyridine-1-carbonitrile?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)imidazo[1,5-a]pyridine-1-carbonitrile (CID 116836636) is 3-(5-bromo-2-fluorophenyl)imidazo[1,5-a]pyridine-1-carbonitrile.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)imidazo[1,5-a]pyridine-1-carbonitrile?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)imidazo[1,5-a]pyridine-1-carbonitrile is N#Cc1nc(-c2cc(Br)ccc2F)n2ccccc12.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)imidazo[1,5-a]pyridine-1-carbonitrile?
The InChIKey is GCRBFBYBSJJSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrFN3/c15-9-4-5-11(16)10(7-9)14-18-12(8-17)13-3-1-2-6-19(13)14/h1-7H.
What are the key properties of 3-(5-bromo-2-fluorophenyl)imidazo[1,5-a]pyridine-1-carbonitrile?
3-(5-bromo-2-fluorophenyl)imidazo[1,5-a]pyridine-1-carbonitrile has a molecular weight of 316.13 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)imidazo[1,5-a]pyridine-1-carbonitrile is sourced from PubChem (CID 116836636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).