4-[(4-bromo-3-chloroanilino)methyl]pyridine-2-carbonitrile

C13H9BrClN3 — CID 103826035

IUPAC4-[(4-bromo-3-chloroanilino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CNc2ccc(Br)c(Cl)c2)ccn1
InChIInChI=1S/C13H9BrClN3/c14-12-2-1-10(6-13(12)15)18-8-9-3-4-17-11(5-9)7-16/h1-6,18H,8H2
InChIKeyGCGNUWRXRPNQLV-UHFFFAOYSA-N
MW322.59 g/mol
LogP3.98
Rot. Bonds3

About 4-[(4-bromo-3-chloroanilino)methyl]pyridine-2-carbonitrile

4-[(4-bromo-3-chloroanilino)methyl]pyridine-2-carbonitrile (PubChem CID 103826035) has the molecular formula C13H9BrClN3 and a molecular weight of 322.59 g/mol. Its IUPAC name is 4-[(4-bromo-3-chloroanilino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(4-bromo-3-chloroanilino)methyl]pyridine-2-carbonitrile
PubChem CID103826035
Molecular FormulaC13H9BrClN3
Molecular Weight322.59 g/mol
Exact Mass320.97
IUPAC Name4-[(4-bromo-3-chloroanilino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CNc2ccc(Br)c(Cl)c2)ccn1
InChIInChI=1S/C13H9BrClN3/c14-12-2-1-10(6-13(12)15)18-8-9-3-4-17-11(5-9)7-16/h1-6,18H,8H2
InChIKeyGCGNUWRXRPNQLV-UHFFFAOYSA-N
XLogP3.98
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(4-bromo-3-chloroanilino)methyl]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
CID 63881092
4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile
CID 63887670
4-[(4-methylanilino)methyl]pyridine-2-carbonitrile
CID 63882858
4-[(naphthalen-2-ylamino)methyl]pyridine-2-carbonitrile
CID 63881509
4-[(2,6-dichloroanilino)methyl]pyridine-2-carbonitrile
CID 65469773
4-[(3-bromo-5-methylanilino)methyl]pyridine-2-carbonitrile
CID 104937835
4-[(3-chloro-5-fluoroanilino)methyl]pyridine-2-carbonitrile
CID 113285870
4-[(4-methylsulfanylanilino)methyl]pyridine-2-carbonitrile
CID 63888074
4-[(4-bromo-3-chloroanilino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136852795
4-[(thiophen-3-ylamino)methyl]pyridine-2-carbonitrile
CID 66352811
4-[(4-butylanilino)methyl]pyridine-2-carbonitrile
CID 63880716
4-[(4-cyanophenyl)methylamino]pyridine-2-carbonitrile
CID 62925693

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3-chloroanilino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(4-bromo-3-chloroanilino)methyl]pyridine-2-carbonitrile (CID 103826035) is 4-[(4-bromo-3-chloroanilino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(4-bromo-3-chloroanilino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(4-bromo-3-chloroanilino)methyl]pyridine-2-carbonitrile is N#Cc1cc(CNc2ccc(Br)c(Cl)c2)ccn1.
What is the InChIKey of 4-[(4-bromo-3-chloroanilino)methyl]pyridine-2-carbonitrile?
The InChIKey is GCGNUWRXRPNQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3/c14-12-2-1-10(6-13(12)15)18-8-9-3-4-17-11(5-9)7-16/h1-6,18H,8H2.
What are the key properties of 4-[(4-bromo-3-chloroanilino)methyl]pyridine-2-carbonitrile?
4-[(4-bromo-3-chloroanilino)methyl]pyridine-2-carbonitrile has a molecular weight of 322.59 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3-chloroanilino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 103826035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).