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

C12H10BrN3S — CID 116854106

IUPAC2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Br)s2)nc2n1CCCC2
InChIInChI=1S/C12H10BrN3S/c13-10-5-4-9(17-10)12-8(7-14)16-6-2-1-3-11(16)15-12/h4-5H,1-3,6H2
InChIKeyUPJVQNGNMCYISW-UHFFFAOYSA-N
MW308.20 g/mol
LogP3.58
Rot. Bonds1

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

2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 116854106) has the molecular formula C12H10BrN3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID116854106
Molecular FormulaC12H10BrN3S
Molecular Weight308.20 g/mol
Exact Mass306.98
IUPAC Name2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Br)s2)nc2n1CCCC2
InChIInChI=1S/C12H10BrN3S/c13-10-5-4-9(17-10)12-8(7-14)16-6-2-1-3-11(16)15-12/h4-5H,1-3,6H2
InChIKeyUPJVQNGNMCYISW-UHFFFAOYSA-N
XLogP3.58
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
CID 116854123
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
3-bromo-2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 82124802
2,3-dibromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 10356283
3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 657731
6-bromo-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
CID 171064698
3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984426
3-bromo-2-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 84699047
2-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 84699046
4,7-bis(5-bromothiophen-2-yl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonitrile
CID 101079793

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile (CID 116854106) is 2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile is N#Cc1c(-c2ccc(Br)s2)nc2n1CCCC2.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is UPJVQNGNMCYISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3S/c13-10-5-4-9(17-10)12-8(7-14)16-6-2-1-3-11(16)15-12/h4-5H,1-3,6H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile?
2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 308.20 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 116854106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).