2-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile

C14H11BrFN3 — CID 116854123

IUPAC2-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cc(Br)ccc2F)nc2n1CCCC2
InChIInChI=1S/C14H11BrFN3/c15-9-4-5-11(16)10(7-9)14-12(8-17)19-6-2-1-3-13(19)18-14/h4-5,7H,1-3,6H2
InChIKeyBEUOIJAQBPBSRF-UHFFFAOYSA-N
MW320.17 g/mol
LogP3.66
Rot. Bonds1

About 2-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile

2-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 116854123) has the molecular formula C14H11BrFN3 and a molecular weight of 320.17 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID116854123
Molecular FormulaC14H11BrFN3
Molecular Weight320.17 g/mol
Exact Mass319.01
IUPAC Name2-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cc(Br)ccc2F)nc2n1CCCC2
InChIInChI=1S/C14H11BrFN3/c15-9-4-5-11(16)10(7-9)14-12(8-17)19-6-2-1-3-13(19)18-14/h4-5,7H,1-3,6H2
InChIKeyBEUOIJAQBPBSRF-UHFFFAOYSA-N
XLogP3.66
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
CID 116854118
2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
CID 116854106
1-[1-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-N-methylmethanamine
CID 84611501
2-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
CID 116854107
2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
CID 116854104
2-amino-4-(5-bromo-2-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile
CID 170319407
2-amino-4-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4635818
4-(5-bromo-2-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 116867007
[2-(3-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanol
CID 116854064
5-bromo-2-fluoro-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 46529904
3-(5-bromo-2-fluorophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine
CID 79742894
3-(2-fluoro-5-methylphenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 118330647

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile (CID 116854123) is 2-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile is N#Cc1c(-c2cc(Br)ccc2F)nc2n1CCCC2.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is BEUOIJAQBPBSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3/c15-9-4-5-11(16)10(7-9)14-12(8-17)19-6-2-1-3-13(19)18-14/h4-5,7H,1-3,6H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile?
2-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 320.17 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 116854123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).