6-(2,4,5-trichlorophenyl)pyridine-2-carbonitrile

C12H5Cl3N2 — CID 134630402

IUPAC6-(2,4,5-trichlorophenyl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(-c2cc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C12H5Cl3N2/c13-9-5-11(15)10(14)4-8(9)12-3-1-2-7(6-16)17-12/h1-5H
InChIKeySEZMNRXBJAUJAU-UHFFFAOYSA-N
MW283.55 g/mol
LogP4.58
Rot. Bonds1

About 6-(2,4,5-trichlorophenyl)pyridine-2-carbonitrile

6-(2,4,5-trichlorophenyl)pyridine-2-carbonitrile (PubChem CID 134630402) has the molecular formula C12H5Cl3N2 and a molecular weight of 283.55 g/mol. Its IUPAC name is 6-(2,4,5-trichlorophenyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(2,4,5-trichlorophenyl)pyridine-2-carbonitrile
PubChem CID134630402
Molecular FormulaC12H5Cl3N2
Molecular Weight283.55 g/mol
Exact Mass281.95
IUPAC Name6-(2,4,5-trichlorophenyl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(-c2cc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C12H5Cl3N2/c13-9-5-11(15)10(14)4-8(9)12-3-1-2-7(6-16)17-12/h1-5H
InChIKeySEZMNRXBJAUJAU-UHFFFAOYSA-N
XLogP4.58
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.55
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

6-(2,5-dichlorophenyl)pyridine-2-carbonitrile
CID 133096229
6-(4,6-dichloro-3-pyridinyl)pyridine-2-carbonitrile
CID 171482377
6-(2,4,6-trichlorophenyl)pyridine-2-carbonitrile
CID 134636792
6-(2-methylphenyl)pyridine-2-carbonitrile
CID 55265377
[6-(2,4,5-trichlorophenyl)-2-pyridinyl]methanol
CID 134630403
6-(2,4,5-trichlorophenyl)pyridine-2-carboxylic acid
CID 134630401
6-(2-ethoxyphenyl)pyridine-2-carbonitrile
CID 173380951
6-(1H-pyrrol-2-yl)pyridine-2-carbonitrile
CID 91900843
5-chloro-6-methylpyridine-2-carbonitrile
CID 57336597
6-quinolin-3-ylpyridine-2-carbonitrile
CID 56714756
5-amino-6-(2,6-dichlorophenyl)pyridine-2-carbonitrile
CID 133096039
3-(chloromethyl)-2-methyl-6-(2,4,5-trichlorophenyl)pyridine
CID 165352055

Frequently Asked Questions

What is the IUPAC name of 6-(2,4,5-trichlorophenyl)pyridine-2-carbonitrile?
The IUPAC name of 6-(2,4,5-trichlorophenyl)pyridine-2-carbonitrile (CID 134630402) is 6-(2,4,5-trichlorophenyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(2,4,5-trichlorophenyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(2,4,5-trichlorophenyl)pyridine-2-carbonitrile is N#Cc1cccc(-c2cc(Cl)c(Cl)cc2Cl)n1.
What is the InChIKey of 6-(2,4,5-trichlorophenyl)pyridine-2-carbonitrile?
The InChIKey is SEZMNRXBJAUJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3N2/c13-9-5-11(15)10(14)4-8(9)12-3-1-2-7(6-16)17-12/h1-5H.
What are the key properties of 6-(2,4,5-trichlorophenyl)pyridine-2-carbonitrile?
6-(2,4,5-trichlorophenyl)pyridine-2-carbonitrile has a molecular weight of 283.55 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4,5-trichlorophenyl)pyridine-2-carbonitrile is sourced from PubChem (CID 134630402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).