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

C12H4Cl4N2 — CID 118994258

IUPAC2-chloro-5-(3,4,5-trichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2cc(Cl)c(Cl)c(Cl)c2)cnc1Cl
InChIInChI=1S/C12H4Cl4N2/c13-9-2-6(3-10(14)11(9)15)8-1-7(4-17)12(16)18-5-8/h1-3,5H
InChIKeyYQZDDGMHECESDZ-UHFFFAOYSA-N
MW317.99 g/mol
LogP5.23
Rot. Bonds1

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

2-chloro-5-(3,4,5-trichlorophenyl)pyridine-3-carbonitrile (PubChem CID 118994258) has the molecular formula C12H4Cl4N2 and a molecular weight of 317.99 g/mol. Its IUPAC name is 2-chloro-5-(3,4,5-trichlorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-(3,4,5-trichlorophenyl)pyridine-3-carbonitrile
PubChem CID118994258
Molecular FormulaC12H4Cl4N2
Molecular Weight317.99 g/mol
Exact Mass315.91
IUPAC Name2-chloro-5-(3,4,5-trichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2cc(Cl)c(Cl)c(Cl)c2)cnc1Cl
InChIInChI=1S/C12H4Cl4N2/c13-9-2-6(3-10(14)11(9)15)8-1-7(4-17)12(16)18-5-8/h1-3,5H
InChIKeyYQZDDGMHECESDZ-UHFFFAOYSA-N
XLogP5.23
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.99
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(2,6-dimethyl-4-pyridinyl)pyridine-3-carbonitrile
CID 20517022
2-chloro-5-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 82120608
2-[2-chloro-5-(3,4,5-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134619751
5-(6-amino-3-pyridinyl)-2-chloropyridine-3-carbonitrile
CID 171351160
2-chloro-5-(2,5-dichlorophenyl)pyridine-3-carbonitrile
CID 133094822
2-chloro-5-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 72711592
2-chloro-5-(2-chloro-6-fluorophenyl)pyridine-3-carbonitrile
CID 82122908
2-chloro-5-(trichloromethyl)pyridine-3-carbonitrile
CID 5077889
2-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 118998520
2-chloro-5-ethylpyridine-3-carbonitrile
CID 14569539
3,5-bis(3,4,5-trichlorophenyl)pyridine
CID 134623434
5-(3,4,5-trichlorophenyl)pyrimidin-2-amine
CID 118996100

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3,4,5-trichlorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-5-(3,4,5-trichlorophenyl)pyridine-3-carbonitrile (CID 118994258) is 2-chloro-5-(3,4,5-trichlorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-5-(3,4,5-trichlorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-5-(3,4,5-trichlorophenyl)pyridine-3-carbonitrile is N#Cc1cc(-c2cc(Cl)c(Cl)c(Cl)c2)cnc1Cl.
What is the InChIKey of 2-chloro-5-(3,4,5-trichlorophenyl)pyridine-3-carbonitrile?
The InChIKey is YQZDDGMHECESDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl4N2/c13-9-2-6(3-10(14)11(9)15)8-1-7(4-17)12(16)18-5-8/h1-3,5H.
What are the key properties of 2-chloro-5-(3,4,5-trichlorophenyl)pyridine-3-carbonitrile?
2-chloro-5-(3,4,5-trichlorophenyl)pyridine-3-carbonitrile has a molecular weight of 317.99 g/mol, XLogP of 5.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,4,5-trichlorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 118994258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).