1-(3-chloro-5-nitro-2-pyridinyl)imidazole-2-carbonitrile

C9H4ClN5O2 — CID 114046960

IUPAC1-(3-chloro-5-nitro-2-pyridinyl)imidazole-2-carbonitrile
SMILESN#Cc1nccn1-c1ncc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C9H4ClN5O2/c10-7-3-6(15(16)17)5-13-9(7)14-2-1-12-8(14)4-11/h1-3,5H
InChIKeyLUSRDUDQPPWHFO-UHFFFAOYSA-N
MW249.62 g/mol
LogP1.70
Rot. Bonds2

About 1-(3-chloro-5-nitro-2-pyridinyl)imidazole-2-carbonitrile

1-(3-chloro-5-nitro-2-pyridinyl)imidazole-2-carbonitrile (PubChem CID 114046960) has the molecular formula C9H4ClN5O2 and a molecular weight of 249.62 g/mol. Its IUPAC name is 1-(3-chloro-5-nitro-2-pyridinyl)imidazole-2-carbonitrile.

Molecular Properties

Compound Name1-(3-chloro-5-nitro-2-pyridinyl)imidazole-2-carbonitrile
PubChem CID114046960
Molecular FormulaC9H4ClN5O2
Molecular Weight249.62 g/mol
Exact Mass249.01
IUPAC Name1-(3-chloro-5-nitro-2-pyridinyl)imidazole-2-carbonitrile
SMILESN#Cc1nccn1-c1ncc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C9H4ClN5O2/c10-7-3-6(15(16)17)5-13-9(7)14-2-1-12-8(14)4-11/h1-3,5H
InChIKeyLUSRDUDQPPWHFO-UHFFFAOYSA-N
XLogP1.70
TPSA97.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.62
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromopyrazol-1-yl)-3-chloro-5-nitropyridine
CID 156563778
1-(3,5-difluoro-2-nitrophenyl)imidazole-2-carbonitrile
CID 115509936
3-chloro-2-(4-methyltriazol-1-yl)-5-nitropyridine
CID 134610318
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)imidazole-2-carbonitrile
CID 137008254
1-(5-bromo-4-fluoro-2-nitrophenyl)imidazole-2-carbonitrile
CID 116739747
3-chloro-2-[4-(ethoxymethyl)piperidin-1-yl]-5-nitropyridine
CID 133310064
3-chloro-2-(4-ethenylpiperidin-1-yl)-5-nitropyridine
CID 133309524
2-[1-(3-methyl-5-nitro-2-pyridinyl)imidazol-2-yl]ethanamine
CID 62476232
2-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carbonitrile
CID 171095844
3-chloro-5-nitropyridine-2-carbaldehyde
CID 19010906
1-(3-chloro-5-nitro-2-pyridinyl)-3-methylpiperidin-3-ol
CID 103878214
2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine-3-carbonitrile
CID 63810217

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-nitro-2-pyridinyl)imidazole-2-carbonitrile?
The IUPAC name of 1-(3-chloro-5-nitro-2-pyridinyl)imidazole-2-carbonitrile (CID 114046960) is 1-(3-chloro-5-nitro-2-pyridinyl)imidazole-2-carbonitrile.
What is the SMILES notation for 1-(3-chloro-5-nitro-2-pyridinyl)imidazole-2-carbonitrile?
The canonical SMILES for 1-(3-chloro-5-nitro-2-pyridinyl)imidazole-2-carbonitrile is N#Cc1nccn1-c1ncc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 1-(3-chloro-5-nitro-2-pyridinyl)imidazole-2-carbonitrile?
The InChIKey is LUSRDUDQPPWHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClN5O2/c10-7-3-6(15(16)17)5-13-9(7)14-2-1-12-8(14)4-11/h1-3,5H.
What are the key properties of 1-(3-chloro-5-nitro-2-pyridinyl)imidazole-2-carbonitrile?
1-(3-chloro-5-nitro-2-pyridinyl)imidazole-2-carbonitrile has a molecular weight of 249.62 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-nitro-2-pyridinyl)imidazole-2-carbonitrile is sourced from PubChem (CID 114046960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).