5-(benzhydrylideneamino)-3-chloropyridine-2-carbonitrile

C19H12ClN3 — CID 164600664

IUPAC5-(benzhydrylideneamino)-3-chloropyridine-2-carbonitrile
SMILESN#Cc1ncc(N=C(c2ccccc2)c2ccccc2)cc1Cl
InChIInChI=1S/C19H12ClN3/c20-17-11-16(13-22-18(17)12-21)23-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-11,13H
InChIKeyTVKJULGTNUYWKV-UHFFFAOYSA-N
MW317.78 g/mol
LogP4.78
Rot. Bonds3

About 5-(benzhydrylideneamino)-3-chloropyridine-2-carbonitrile

5-(benzhydrylideneamino)-3-chloropyridine-2-carbonitrile (PubChem CID 164600664) has the molecular formula C19H12ClN3 and a molecular weight of 317.78 g/mol. Its IUPAC name is 5-(benzhydrylideneamino)-3-chloropyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(benzhydrylideneamino)-3-chloropyridine-2-carbonitrile
PubChem CID164600664
Molecular FormulaC19H12ClN3
Molecular Weight317.78 g/mol
Exact Mass317.07
IUPAC Name5-(benzhydrylideneamino)-3-chloropyridine-2-carbonitrile
SMILESN#Cc1ncc(N=C(c2ccccc2)c2ccccc2)cc1Cl
InChIInChI=1S/C19H12ClN3/c20-17-11-16(13-22-18(17)12-21)23-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-11,13H
InChIKeyTVKJULGTNUYWKV-UHFFFAOYSA-N
XLogP4.78
TPSA49.04 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(benzhydrylideneamino)-3-chloropyridine-2-carbonitrile?
The IUPAC name of 5-(benzhydrylideneamino)-3-chloropyridine-2-carbonitrile (CID 164600664) is 5-(benzhydrylideneamino)-3-chloropyridine-2-carbonitrile.
What is the SMILES notation for 5-(benzhydrylideneamino)-3-chloropyridine-2-carbonitrile?
The canonical SMILES for 5-(benzhydrylideneamino)-3-chloropyridine-2-carbonitrile is N#Cc1ncc(N=C(c2ccccc2)c2ccccc2)cc1Cl.
What is the InChIKey of 5-(benzhydrylideneamino)-3-chloropyridine-2-carbonitrile?
The InChIKey is TVKJULGTNUYWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3/c20-17-11-16(13-22-18(17)12-21)23-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-11,13H.
What are the key properties of 5-(benzhydrylideneamino)-3-chloropyridine-2-carbonitrile?
5-(benzhydrylideneamino)-3-chloropyridine-2-carbonitrile has a molecular weight of 317.78 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzhydrylideneamino)-3-chloropyridine-2-carbonitrile is sourced from PubChem (CID 164600664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).