2-[5-chloro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile

C13H6Cl4N2 — CID 134625706

IUPAC2-[5-chloro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)n1
InChIInChI=1S/C13H6Cl4N2/c14-9-4-2-8(11(16)12(9)17)13-10(15)3-1-7(19-13)5-6-18/h1-4H,5H2
InChIKeyXVGDKVRYFKYWCW-UHFFFAOYSA-N
MW332.02 g/mol
LogP5.43
Rot. Bonds2

About 2-[5-chloro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile

2-[5-chloro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile (PubChem CID 134625706) has the molecular formula C13H6Cl4N2 and a molecular weight of 332.02 g/mol. Its IUPAC name is 2-[5-chloro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-chloro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile
PubChem CID134625706
Molecular FormulaC13H6Cl4N2
Molecular Weight332.02 g/mol
Exact Mass329.93
IUPAC Name2-[5-chloro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)n1
InChIInChI=1S/C13H6Cl4N2/c14-9-4-2-8(11(16)12(9)17)13-10(15)3-1-7(19-13)5-6-18/h1-4H,5H2
InChIKeyXVGDKVRYFKYWCW-UHFFFAOYSA-N
XLogP5.43
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.02
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[5-methoxy-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 134636450
2-[5-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094500
2-[5-chloro-6-(2,6-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094318
2-[6-amino-5-(2,3,6-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 119003960
2-[5-methoxy-6-(2,3,6-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094290
2-[6-(2,5-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 133094529
2-[5-fluoro-6-(2,3,5-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 134637614
2-[5-amino-6-(3,4-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094408
[5-fluoro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol
CID 134636257
2-[2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118824848
2-[5-chloro-2-(2,3,4-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134636100
3-chloro-2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134636029

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-chloro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile (CID 134625706) is 2-[5-chloro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-chloro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-chloro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile is N#CCc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)n1.
What is the InChIKey of 2-[5-chloro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile?
The InChIKey is XVGDKVRYFKYWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl4N2/c14-9-4-2-8(11(16)12(9)17)13-10(15)3-1-7(19-13)5-6-18/h1-4H,5H2.
What are the key properties of 2-[5-chloro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile?
2-[5-chloro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile has a molecular weight of 332.02 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 134625706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).