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

C13H6Cl4N2 — CID 134636100

IUPAC2-[5-chloro-2-(2,3,4-trichlorophenyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(-c2ccc(Cl)c(Cl)c2Cl)ncc1Cl
InChIInChI=1S/C13H6Cl4N2/c14-9-2-1-8(12(16)13(9)17)11-5-7(3-4-18)10(15)6-19-11/h1-2,5-6H,3H2
InChIKeyWRWXXQOXMBSDOJ-UHFFFAOYSA-N
MW332.02 g/mol
LogP5.43
Rot. Bonds2

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

2-[5-chloro-2-(2,3,4-trichlorophenyl)-4-pyridinyl]acetonitrile (PubChem CID 134636100) has the molecular formula C13H6Cl4N2 and a molecular weight of 332.02 g/mol. Its IUPAC name is 2-[5-chloro-2-(2,3,4-trichlorophenyl)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-chloro-2-(2,3,4-trichlorophenyl)-4-pyridinyl]acetonitrile
PubChem CID134636100
Molecular FormulaC13H6Cl4N2
Molecular Weight332.02 g/mol
Exact Mass329.93
IUPAC Name2-[5-chloro-2-(2,3,4-trichlorophenyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(-c2ccc(Cl)c(Cl)c2Cl)ncc1Cl
InChIInChI=1S/C13H6Cl4N2/c14-9-2-1-8(12(16)13(9)17)11-5-7(3-4-18)10(15)6-19-11/h1-2,5-6H,3H2
InChIKeyWRWXXQOXMBSDOJ-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-(2,5-dichloro-4-pyridinyl)acetonitrile
CID 84770229
2-[5-amino-2-(2,5-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094547
2-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118847565
2-[6-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134636222
4-fluoro-2,5-bis(2,3,4-trichlorophenyl)pyridine
CID 133090114
2-[2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118824848
2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 131168140
2,6-bis(2,3,4-trichlorophenyl)pyridine-4-carbonitrile
CID 134635784
3,6-bis(2,3,4-trichlorophenyl)pyridine-2-carbonitrile
CID 134623859
2-[5-chloro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 134625706
2-[5-amino-2-(2,6-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094350
2-[5-fluoro-2-(2-fluorophenyl)-4-pyridinyl]acetonitrile
CID 131870604

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(2,3,4-trichlorophenyl)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-chloro-2-(2,3,4-trichlorophenyl)-4-pyridinyl]acetonitrile (CID 134636100) is 2-[5-chloro-2-(2,3,4-trichlorophenyl)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-chloro-2-(2,3,4-trichlorophenyl)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-chloro-2-(2,3,4-trichlorophenyl)-4-pyridinyl]acetonitrile is N#CCc1cc(-c2ccc(Cl)c(Cl)c2Cl)ncc1Cl.
What is the InChIKey of 2-[5-chloro-2-(2,3,4-trichlorophenyl)-4-pyridinyl]acetonitrile?
The InChIKey is WRWXXQOXMBSDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl4N2/c14-9-2-1-8(12(16)13(9)17)11-5-7(3-4-18)10(15)6-19-11/h1-2,5-6H,3H2.
What are the key properties of 2-[5-chloro-2-(2,3,4-trichlorophenyl)-4-pyridinyl]acetonitrile?
2-[5-chloro-2-(2,3,4-trichlorophenyl)-4-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-2-(2,3,4-trichlorophenyl)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 134636100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).