7-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-3-carbonitrile

C14H7ClN4O2 — CID 82343145

IUPAC7-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc([N+](=O)[O-])cc2)nc2cc(Cl)ccn12
InChIInChI=1S/C14H7ClN4O2/c15-10-5-6-18-12(8-16)14(17-13(18)7-10)9-1-3-11(4-2-9)19(20)21/h1-7H
InChIKeyGXOMCPPWQIWBPS-UHFFFAOYSA-N
MW298.69 g/mol
LogP3.43
Rot. Bonds2

About 7-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-3-carbonitrile

7-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 82343145) has the molecular formula C14H7ClN4O2 and a molecular weight of 298.69 g/mol. Its IUPAC name is 7-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID82343145
Molecular FormulaC14H7ClN4O2
Molecular Weight298.69 g/mol
Exact Mass298.03
IUPAC Name7-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc([N+](=O)[O-])cc2)nc2cc(Cl)ccn12
InChIInChI=1S/C14H7ClN4O2/c15-10-5-6-18-12(8-16)14(17-13(18)7-10)9-1-3-11(4-2-9)19(20)21/h1-7H
InChIKeyGXOMCPPWQIWBPS-UHFFFAOYSA-N
XLogP3.43
TPSA84.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.69
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

7-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82343144
2,7-dichloroimidazo[1,2-a]pyridine-3-carbonitrile
CID 82343163
(7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate
CID 162411635
7-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 82343132
2-amino-4-(3-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5258575
4,5-bis(4-chlorophenyl)-2-(4-nitrophenyl)-1H-imidazole
CID 2832814
3-[(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122060780
2-[7-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82343208
[8-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 82529315
7-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 82343242
6-chloro-2-(4-nitrophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
CID 7023754
6-chloro-2-(4-nitrophenyl)-4-phenylquinazoline
CID 15566178

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 7-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-3-carbonitrile (CID 82343145) is 7-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 7-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 7-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-3-carbonitrile is N#Cc1c(-c2ccc([N+](=O)[O-])cc2)nc2cc(Cl)ccn12.
What is the InChIKey of 7-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is GXOMCPPWQIWBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClN4O2/c15-10-5-6-18-12(8-16)14(17-13(18)7-10)9-1-3-11(4-2-9)19(20)21/h1-7H.
What are the key properties of 7-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-3-carbonitrile?
7-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 298.69 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 82343145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).