2-(4-bromopyrazol-1-yl)pyridine-3-carbonitrile

C9H5BrN4 — CID 61035009

IUPAC2-(4-bromopyrazol-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1-n1cc(Br)cn1
InChIInChI=1S/C9H5BrN4/c10-8-5-13-14(6-8)9-7(4-11)2-1-3-12-9/h1-3,5-6H
InChIKeyGSVNXJOUVIKFPM-UHFFFAOYSA-N
MW249.07 g/mol
LogP1.90
Rot. Bonds1

About 2-(4-bromopyrazol-1-yl)pyridine-3-carbonitrile

2-(4-bromopyrazol-1-yl)pyridine-3-carbonitrile (PubChem CID 61035009) has the molecular formula C9H5BrN4 and a molecular weight of 249.07 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)pyridine-3-carbonitrile
PubChem CID61035009
Molecular FormulaC9H5BrN4
Molecular Weight249.07 g/mol
Exact Mass247.97
IUPAC Name2-(4-bromopyrazol-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1-n1cc(Br)cn1
InChIInChI=1S/C9H5BrN4/c10-8-5-13-14(6-8)9-7(4-11)2-1-3-12-9/h1-3,5-6H
InChIKeyGSVNXJOUVIKFPM-UHFFFAOYSA-N
XLogP1.90
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.07
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]pyridine-3-carbonitrile
CID 175708498
N-[[2-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62295446
2-thiomorpholin-4-ylpyridine-3-carbonitrile
CID 28787469
1-(3-methyl-2-pyridinyl)pyrazole-4-carbonitrile
CID 130500204
2-(4-bromopyrazol-1-yl)-3-(5-chloropyrimidin-2-yl)oxybenzonitrile
CID 118142480
N-[[2-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62293679
N-[1-(3-cyano-2-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 146089418
2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 171328145
3-(4-bromopyrazol-1-yl)-2-methoxypyridine
CID 172590357
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 134031869
2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]pyridine-3-carbonitrile
CID 175875554
3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 61096462

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(4-bromopyrazol-1-yl)pyridine-3-carbonitrile (CID 61035009) is 2-(4-bromopyrazol-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)pyridine-3-carbonitrile is N#Cc1cccnc1-n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)pyridine-3-carbonitrile?
The InChIKey is GSVNXJOUVIKFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN4/c10-8-5-13-14(6-8)9-7(4-11)2-1-3-12-9/h1-3,5-6H.
What are the key properties of 2-(4-bromopyrazol-1-yl)pyridine-3-carbonitrile?
2-(4-bromopyrazol-1-yl)pyridine-3-carbonitrile has a molecular weight of 249.07 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 61035009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).