6-(benzimidazol-1-yl)-5-nitropyridine-3-carbonitrile

C13H7N5O2 — CID 103473415

IUPAC6-(benzimidazol-1-yl)-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cnc(-n2cnc3ccccc32)c([N+](=O)[O-])c1
InChIInChI=1S/C13H7N5O2/c14-6-9-5-12(18(19)20)13(15-7-9)17-8-16-10-3-1-2-4-11(10)17/h1-5,7-8H
InChIKeyIJXDZEZXCQEPHM-UHFFFAOYSA-N
MW265.23 g/mol
LogP2.20
Rot. Bonds2

About 6-(benzimidazol-1-yl)-5-nitropyridine-3-carbonitrile

6-(benzimidazol-1-yl)-5-nitropyridine-3-carbonitrile (PubChem CID 103473415) has the molecular formula C13H7N5O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-5-nitropyridine-3-carbonitrile
PubChem CID103473415
Molecular FormulaC13H7N5O2
Molecular Weight265.23 g/mol
Exact Mass265.06
IUPAC Name6-(benzimidazol-1-yl)-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cnc(-n2cnc3ccccc32)c([N+](=O)[O-])c1
InChIInChI=1S/C13H7N5O2/c14-6-9-5-12(18(19)20)13(15-7-9)17-8-16-10-3-1-2-4-11(10)17/h1-5,7-8H
InChIKeyIJXDZEZXCQEPHM-UHFFFAOYSA-N
XLogP2.20
TPSA97.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 52.20
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

6-imidazol-1-yl-5-nitropyridine-3-carbonitrile
CID 103473390
5-(benzimidazol-1-yl)-2-nitroaniline
CID 10354943
3,4-bis(benzimidazol-1-yl)benzonitrile
CID 122546288
4-[3-(benzimidazol-1-yl)propylamino]-3-nitrobenzonitrile
CID 16562510
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-nitropyridine-3-carbonitrile
CID 103472456
1-(2,6-difluoro-4-nitrophenyl)benzimidazole
CID 103828373
2-[1-(5-cyano-3-nitro-2-pyridinyl)azetidin-3-yl]acetic acid
CID 103469970
1-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)benzimidazole
CID 22534110
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-nitropyridine-3-carbonitrile
CID 103470122
1-(3-ethoxy-4-nitrophenyl)benzimidazole
CID 115885942
6-(3-hydroxy-4-methylpiperidin-1-yl)-5-nitropyridine-3-carbonitrile
CID 103473039
2-[4-(5-cyano-3-nitro-2-pyridinyl)piperazin-1-yl]acetic acid
CID 103469872

Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-5-nitropyridine-3-carbonitrile?
The IUPAC name of 6-(benzimidazol-1-yl)-5-nitropyridine-3-carbonitrile (CID 103473415) is 6-(benzimidazol-1-yl)-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 6-(benzimidazol-1-yl)-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 6-(benzimidazol-1-yl)-5-nitropyridine-3-carbonitrile is N#Cc1cnc(-n2cnc3ccccc32)c([N+](=O)[O-])c1.
What is the InChIKey of 6-(benzimidazol-1-yl)-5-nitropyridine-3-carbonitrile?
The InChIKey is IJXDZEZXCQEPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N5O2/c14-6-9-5-12(18(19)20)13(15-7-9)17-8-16-10-3-1-2-4-11(10)17/h1-5,7-8H.
What are the key properties of 6-(benzimidazol-1-yl)-5-nitropyridine-3-carbonitrile?
6-(benzimidazol-1-yl)-5-nitropyridine-3-carbonitrile has a molecular weight of 265.23 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazol-1-yl)-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 103473415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).