2-amino-3-(3,4,5-trichlorophenyl)pyridine-4-carbonitrile

C12H6Cl3N3 — CID 119021726

IUPAC2-amino-3-(3,4,5-trichlorophenyl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N)c1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C12H6Cl3N3/c13-8-3-7(4-9(14)11(8)15)10-6(5-16)1-2-18-12(10)17/h1-4H,(H2,17,18)
InChIKeyOMDCYDLZFXZRRV-UHFFFAOYSA-N
MW298.56 g/mol
LogP4.16
Rot. Bonds1

About 2-amino-3-(3,4,5-trichlorophenyl)pyridine-4-carbonitrile

2-amino-3-(3,4,5-trichlorophenyl)pyridine-4-carbonitrile (PubChem CID 119021726) has the molecular formula C12H6Cl3N3 and a molecular weight of 298.56 g/mol. Its IUPAC name is 2-amino-3-(3,4,5-trichlorophenyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-amino-3-(3,4,5-trichlorophenyl)pyridine-4-carbonitrile
PubChem CID119021726
Molecular FormulaC12H6Cl3N3
Molecular Weight298.56 g/mol
Exact Mass296.96
IUPAC Name2-amino-3-(3,4,5-trichlorophenyl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N)c1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C12H6Cl3N3/c13-8-3-7(4-9(14)11(8)15)10-6(5-16)1-2-18-12(10)17/h1-4H,(H2,17,18)
InChIKeyOMDCYDLZFXZRRV-UHFFFAOYSA-N
XLogP4.16
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.56
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-amino-3-(3,4,5-trichlorophenyl)pyridine-4-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

2-amino-3-(2,3,5-trichlorophenyl)pyridine-4-carbonitrile
CID 119005725
2,4-dimethyl-3-(3,4,5-trichlorophenyl)pyridine
CID 118991314
2-amino-3-methylpyridine-4-carbonitrile
CID 119015865
2-amino-3-(3,4-dichlorophenyl)pyridine-4-carboxylic acid
CID 119004294
2-chloro-5-(3,4,5-trichlorophenyl)pyridine-3-carbonitrile
CID 118994258
2-[3-amino-2-(3,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134624002
5-amino-2-(3,4-dichlorophenyl)pyridine-3-carbonitrile
CID 133095973
2-amino-3-methoxypyridine-4-carbonitrile
CID 119008988
2-amino-4-(3-chloro-2-pyridinyl)benzonitrile
CID 22030226
4-chloro-3-(4-fluorophenyl)pyridin-2-amine
CID 119054060
2-amino-3-[2-(difluoromethoxy)phenyl]pyridine-4-carbonitrile
CID 118094433
3-chloro-2-(4-oxopiperidin-1-yl)pyridine-4-carbonitrile
CID 107059231

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,4,5-trichlorophenyl)pyridine-4-carbonitrile?
The IUPAC name of 2-amino-3-(3,4,5-trichlorophenyl)pyridine-4-carbonitrile (CID 119021726) is 2-amino-3-(3,4,5-trichlorophenyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-amino-3-(3,4,5-trichlorophenyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-amino-3-(3,4,5-trichlorophenyl)pyridine-4-carbonitrile is N#Cc1ccnc(N)c1-c1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of 2-amino-3-(3,4,5-trichlorophenyl)pyridine-4-carbonitrile?
The InChIKey is OMDCYDLZFXZRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3N3/c13-8-3-7(4-9(14)11(8)15)10-6(5-16)1-2-18-12(10)17/h1-4H,(H2,17,18).
What are the key properties of 2-amino-3-(3,4,5-trichlorophenyl)pyridine-4-carbonitrile?
2-amino-3-(3,4,5-trichlorophenyl)pyridine-4-carbonitrile has a molecular weight of 298.56 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,4,5-trichlorophenyl)pyridine-4-carbonitrile is sourced from PubChem (CID 119021726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).