2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile

C13H9Cl2N3 — CID 83074582

IUPAC2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H9Cl2N3/c14-11-3-1-9(2-4-11)8-17-13-6-10(7-16)5-12(15)18-13/h1-6H,8H2,(H,17,18)
InChIKeyVXJHKYGZESKJDN-UHFFFAOYSA-N
MW278.14 g/mol
LogP3.87
Rot. Bonds3

About 2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile

2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile (PubChem CID 83074582) has the molecular formula C13H9Cl2N3 and a molecular weight of 278.14 g/mol. Its IUPAC name is 2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile
PubChem CID83074582
Molecular FormulaC13H9Cl2N3
Molecular Weight278.14 g/mol
Exact Mass277.02
IUPAC Name2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H9Cl2N3/c14-11-3-1-9(2-4-11)8-17-13-6-10(7-16)5-12(15)18-13/h1-6H,8H2,(H,17,18)
InChIKeyVXJHKYGZESKJDN-UHFFFAOYSA-N
XLogP3.87
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
CID 83072628
4-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 62481548
2-chloro-6-[(4-cyanophenyl)methylamino]pyridine-4-carboxylic acid
CID 62268789
4-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 80935909
4-[(4-chlorophenyl)methylamino]-3,5-difluorobenzonitrile
CID 78981100
2-[[6-[(4-chlorophenyl)methylamino]-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112872762
2-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile
CID 83074583
2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
CID 114765767
2-chloro-6-[[2-(methoxymethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 106192881
2-[(3-bromothiophen-2-yl)methylamino]-6-chloropyridine-4-carbonitrile
CID 83076266
4-[[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]amino]benzonitrile
CID 112860045
2-chloro-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 83077718

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile (CID 83074582) is 2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile is N#Cc1cc(Cl)nc(NCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile?
The InChIKey is VXJHKYGZESKJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3/c14-11-3-1-9(2-4-11)8-17-13-6-10(7-16)5-12(15)18-13/h1-6H,8H2,(H,17,18).
What are the key properties of 2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile?
2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile has a molecular weight of 278.14 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 83074582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).