2-(4-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile

C12H10BrN3S — CID 116854118

IUPAC2-(4-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cc(Br)cs2)nc2n1CCCC2
InChIInChI=1S/C12H10BrN3S/c13-8-5-10(17-7-8)12-9(6-14)16-4-2-1-3-11(16)15-12/h5,7H,1-4H2
InChIKeyDYVQDKJDFMCEBA-UHFFFAOYSA-N
MW308.20 g/mol
LogP3.58
Rot. Bonds1

About 2-(4-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile

2-(4-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 116854118) has the molecular formula C12H10BrN3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID116854118
Molecular FormulaC12H10BrN3S
Molecular Weight308.20 g/mol
Exact Mass306.98
IUPAC Name2-(4-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cc(Br)cs2)nc2n1CCCC2
InChIInChI=1S/C12H10BrN3S/c13-8-5-10(17-7-8)12-9(6-14)16-4-2-1-3-11(16)15-12/h5,7H,1-4H2
InChIKeyDYVQDKJDFMCEBA-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-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
CID 116854106
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
2,3-dibromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 10356283
[2-(3-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanol
CID 116854064
1-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]cyclopropane-1-carbonitrile
CID 116890793
3-bromo-2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 82124802
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
2-bromo-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)benzonitrile
CID 107279713

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 2-(4-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile (CID 116854118) is 2-(4-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile is N#Cc1c(-c2cc(Br)cs2)nc2n1CCCC2.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is DYVQDKJDFMCEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3S/c13-8-5-10(17-7-8)12-9(6-14)16-4-2-1-3-11(16)15-12/h5,7H,1-4H2.
What are the key properties of 2-(4-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile?
2-(4-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-(4-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 116854118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).