5-pyridin-3-yl-1H-imidazole-2-carbonitrile

C9H6N4 — CID 116879944

IUPAC5-pyridin-3-yl-1H-imidazole-2-carbonitrile
SMILESN#Cc1ncc(-c2cccnc2)[nH]1
InChIInChI=1S/C9H6N4/c10-4-9-12-6-8(13-9)7-2-1-3-11-5-7/h1-3,5-6H,(H,12,13)
InChIKeyIHGJSDSKJNJHKV-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.34
Rot. Bonds1

About 5-pyridin-3-yl-1H-imidazole-2-carbonitrile

5-pyridin-3-yl-1H-imidazole-2-carbonitrile (PubChem CID 116879944) has the molecular formula C9H6N4 and a molecular weight of 170.17 g/mol. Its IUPAC name is 5-pyridin-3-yl-1H-imidazole-2-carbonitrile.

Molecular Properties

Compound Name5-pyridin-3-yl-1H-imidazole-2-carbonitrile
PubChem CID116879944
Molecular FormulaC9H6N4
Molecular Weight170.17 g/mol
Exact Mass170.06
IUPAC Name5-pyridin-3-yl-1H-imidazole-2-carbonitrile
SMILESN#Cc1ncc(-c2cccnc2)[nH]1
InChIInChI=1S/C9H6N4/c10-4-9-12-6-8(13-9)7-2-1-3-11-5-7/h1-3,5-6H,(H,12,13)
InChIKeyIHGJSDSKJNJHKV-UHFFFAOYSA-N
XLogP1.34
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-pyridin-3-yl-1H-imidazol-2-yl)methanamine
CID 43649236
N,N-dimethyl-5-pyridin-3-yl-1H-imidazol-2-amine
CID 54038486
5-(4-ethylphenyl)-1H-imidazole-2-carbonitrile
CID 14455646
molecular hydrogen;3-(2-propan-2-yl-1H-imidazol-5-yl)pyridine
CID 144904418
5-(4-ethylsulfonylphenyl)-1H-imidazole-2-carbonitrile
CID 116879916
5-naphthalen-1-yl-1H-imidazole-2-carbonitrile
CID 116879955
3,5-dipyridin-3-ylpyridine-4-carbonitrile
CID 46316354
3-[2-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine
CID 141253849
6-oxo-5-phenyl-1H-pyrimidine-2-carbonitrile
CID 13138678
3-methyl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)butan-1-amine
CID 116877166
(5-pyridin-3-yl-1H-imidazol-2-yl)methylcarbamic acid
CID 143516631
N,N-dimethyl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)aniline
CID 141253763

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-1H-imidazole-2-carbonitrile?
The IUPAC name of 5-pyridin-3-yl-1H-imidazole-2-carbonitrile (CID 116879944) is 5-pyridin-3-yl-1H-imidazole-2-carbonitrile.
What is the SMILES notation for 5-pyridin-3-yl-1H-imidazole-2-carbonitrile?
The canonical SMILES for 5-pyridin-3-yl-1H-imidazole-2-carbonitrile is N#Cc1ncc(-c2cccnc2)[nH]1.
What is the InChIKey of 5-pyridin-3-yl-1H-imidazole-2-carbonitrile?
The InChIKey is IHGJSDSKJNJHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4/c10-4-9-12-6-8(13-9)7-2-1-3-11-5-7/h1-3,5-6H,(H,12,13).
What are the key properties of 5-pyridin-3-yl-1H-imidazole-2-carbonitrile?
5-pyridin-3-yl-1H-imidazole-2-carbonitrile has a molecular weight of 170.17 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-1H-imidazole-2-carbonitrile is sourced from PubChem (CID 116879944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).