6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile

Name: 6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₁₁ClN₄O — CID 146171454

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile

SMILESN#Cc1cc(/N=N/c2ccccc2)c(-c2ccc(Cl)cc2)[nH]c1=O

InChIInChI=1S/C18H11ClN4O/c19-14-8-6-12(7-9-14)17-16(10-13(11-20)18(24)21-17)23-22-15-4-2-1-3-5-15/h1-10H,(H,21,24)/b23-22+

InChIKeyTVIFRFCRSAYWPI-GHVJWSGMSA-N

MW334.77 g/mol

LogP4.98

Rot. Bonds3

About 6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile

6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile (PubChem CID 146171454) has the molecular formula C₁₈H₁₁ClN₄O and a molecular weight of 334.77 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name	6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
PubChem CID	146171454
Molecular Formula	C₁₈H₁₁ClN₄O
Molecular Weight	334.77 g/mol
Exact Mass	334.06
IUPAC Name	6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
SMILES	N#Cc1cc(/N=N/c2ccccc2)c(-c2ccc(Cl)cc2)[nH]c1=O
InChI	InChI=1S/C18H11ClN4O/c19-14-8-6-12(7-9-14)17-16(10-13(11-20)18(24)21-17)23-22-15-4-2-1-3-5-15/h1-10H,(H,21,24)/b23-22+
InChIKey	TVIFRFCRSAYWPI-GHVJWSGMSA-N
XLogP	4.98
TPSA	81.37 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.77
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile?

The IUPAC name of 6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile (CID 146171454) is 6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile.

What is the SMILES notation for 6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile?

The canonical SMILES for 6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile is N#Cc1cc(/N=N/c2ccccc2)c(-c2ccc(Cl)cc2)[nH]c1=O.

What is the InChIKey of 6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile?

The InChIKey is TVIFRFCRSAYWPI-GHVJWSGMSA-N. The full InChI is InChI=1S/C18H11ClN4O/c19-14-8-6-12(7-9-14)17-16(10-13(11-20)18(24)21-17)23-22-15-4-2-1-3-5-15/h1-10H,(H,21,24)/b23-22+.

What are the key properties of 6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile?

6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile has a molecular weight of 334.77 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 146171454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 146171454 — identifiers, structure, computed properties (public domain)

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