6-[2-(3-aminophenyl)imidazol-1-yl]pyridine-2-carbonitrile

C15H11N5 — CID 64589204

IUPAC6-[2-(3-aminophenyl)imidazol-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(-n2ccnc2-c2cccc(N)c2)n1
InChIInChI=1S/C15H11N5/c16-10-13-5-2-6-14(19-13)20-8-7-18-15(20)11-3-1-4-12(17)9-11/h1-9H,17H2
InChIKeyCAERKPZWMKKPTE-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.39
Rot. Bonds2

About 6-[2-(3-aminophenyl)imidazol-1-yl]pyridine-2-carbonitrile

6-[2-(3-aminophenyl)imidazol-1-yl]pyridine-2-carbonitrile (PubChem CID 64589204) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is 6-[2-(3-aminophenyl)imidazol-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[2-(3-aminophenyl)imidazol-1-yl]pyridine-2-carbonitrile
PubChem CID64589204
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC Name6-[2-(3-aminophenyl)imidazol-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(-n2ccnc2-c2cccc(N)c2)n1
InChIInChI=1S/C15H11N5/c16-10-13-5-2-6-14(19-13)20-8-7-18-15(20)11-3-1-4-12(17)9-11/h1-9H,17H2
InChIKeyCAERKPZWMKKPTE-UHFFFAOYSA-N
XLogP2.39
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-aminophenyl)imidazol-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[2-(3-aminophenyl)imidazol-1-yl]pyridine-2-carbonitrile (CID 64589204) is 6-[2-(3-aminophenyl)imidazol-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[2-(3-aminophenyl)imidazol-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[2-(3-aminophenyl)imidazol-1-yl]pyridine-2-carbonitrile is N#Cc1cccc(-n2ccnc2-c2cccc(N)c2)n1.
What is the InChIKey of 6-[2-(3-aminophenyl)imidazol-1-yl]pyridine-2-carbonitrile?
The InChIKey is CAERKPZWMKKPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c16-10-13-5-2-6-14(19-13)20-8-7-18-15(20)11-3-1-4-12(17)9-11/h1-9H,17H2.
What are the key properties of 6-[2-(3-aminophenyl)imidazol-1-yl]pyridine-2-carbonitrile?
6-[2-(3-aminophenyl)imidazol-1-yl]pyridine-2-carbonitrile has a molecular weight of 261.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-aminophenyl)imidazol-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 64589204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).