5-chloroimidazo[1,5-a]pyridine-7-carbonitrile

C8H4ClN3 — CID 130066376

IUPAC5-chloroimidazo[1,5-a]pyridine-7-carbonitrile
SMILESN#Cc1cc(Cl)n2cncc2c1
InChIInChI=1S/C8H4ClN3/c9-8-2-6(3-10)1-7-4-11-5-12(7)8/h1-2,4-5H
InChIKeyHUIPUHHIDGZBEV-UHFFFAOYSA-N
MW177.59 g/mol
LogP1.86
Rot. Bonds

About 5-chloroimidazo[1,5-a]pyridine-7-carbonitrile

5-chloroimidazo[1,5-a]pyridine-7-carbonitrile (PubChem CID 130066376) has the molecular formula C8H4ClN3 and a molecular weight of 177.59 g/mol. Its IUPAC name is 5-chloroimidazo[1,5-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name5-chloroimidazo[1,5-a]pyridine-7-carbonitrile
PubChem CID130066376
Molecular FormulaC8H4ClN3
Molecular Weight177.59 g/mol
Exact Mass177.01
IUPAC Name5-chloroimidazo[1,5-a]pyridine-7-carbonitrile
SMILESN#Cc1cc(Cl)n2cncc2c1
InChIInChI=1S/C8H4ClN3/c9-8-2-6(3-10)1-7-4-11-5-12(7)8/h1-2,4-5H
InChIKeyHUIPUHHIDGZBEV-UHFFFAOYSA-N
XLogP1.86
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.59
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

imidazo[1,5-a]pyridine-5,7-dicarbonitrile
CID 130066229
5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)imidazo[1,5-a]pyridine-7-carbonitrile
CID 135240884
2-(7-chloroimidazo[1,5-a]pyridin-5-yl)acetic acid;4-[3-(7-chloroimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile
CID 158955117
5-chloropyridine-3-carbonitrile
CID 12645070
3-chloro-5-(1-cyclopropylpyrazol-4-yl)benzonitrile
CID 172990998
7-chloro-5-(cyclohexylmethyl)imidazo[1,5-a]pyridine
CID 122604993
3-chloro-4-(1,2,4-triazol-1-yl)benzonitrile
CID 63086876
4-[5-(1-amino-2-methylpropyl)imidazol-1-yl]-3-chlorobenzonitrile
CID 107810754
5-bromo-6-chloroimidazo[1,5-a]pyrazine
CID 118649582
4-(5-chloro-3-ethylpyrazol-1-yl)benzonitrile
CID 66022610
5-(4-chlorophenyl)benzene-1,3-dicarbonitrile
CID 142726083
3,5-dichloro-4-(5-methylpyrazolo[4,3-c]pyridin-5-ium-2-yl)benzonitrile
CID 123819559

Frequently Asked Questions

What is the IUPAC name of 5-chloroimidazo[1,5-a]pyridine-7-carbonitrile?
The IUPAC name of 5-chloroimidazo[1,5-a]pyridine-7-carbonitrile (CID 130066376) is 5-chloroimidazo[1,5-a]pyridine-7-carbonitrile.
What is the SMILES notation for 5-chloroimidazo[1,5-a]pyridine-7-carbonitrile?
The canonical SMILES for 5-chloroimidazo[1,5-a]pyridine-7-carbonitrile is N#Cc1cc(Cl)n2cncc2c1.
What is the InChIKey of 5-chloroimidazo[1,5-a]pyridine-7-carbonitrile?
The InChIKey is HUIPUHHIDGZBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN3/c9-8-2-6(3-10)1-7-4-11-5-12(7)8/h1-2,4-5H.
What are the key properties of 5-chloroimidazo[1,5-a]pyridine-7-carbonitrile?
5-chloroimidazo[1,5-a]pyridine-7-carbonitrile has a molecular weight of 177.59 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloroimidazo[1,5-a]pyridine-7-carbonitrile is sourced from PubChem (CID 130066376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).