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

C13H6Cl4N2 — CID 133093909

IUPAC2-[6-chloro-3-(2,4,5-trichlorophenyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(Cl)ccc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H6Cl4N2/c14-9-6-11(16)10(15)5-8(9)7-1-2-13(17)19-12(7)3-4-18/h1-2,5-6H,3H2
InChIKeyDUQLELMJYIYMNK-UHFFFAOYSA-N
MW332.02 g/mol
LogP5.43
Rot. Bonds2

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

2-[6-chloro-3-(2,4,5-trichlorophenyl)-2-pyridinyl]acetonitrile (PubChem CID 133093909) has the molecular formula C13H6Cl4N2 and a molecular weight of 332.02 g/mol. Its IUPAC name is 2-[6-chloro-3-(2,4,5-trichlorophenyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-chloro-3-(2,4,5-trichlorophenyl)-2-pyridinyl]acetonitrile
PubChem CID133093909
Molecular FormulaC13H6Cl4N2
Molecular Weight332.02 g/mol
Exact Mass329.93
IUPAC Name2-[6-chloro-3-(2,4,5-trichlorophenyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(Cl)ccc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H6Cl4N2/c14-9-6-11(16)10(15)5-8(9)7-1-2-13(17)19-12(7)3-4-18/h1-2,5-6H,3H2
InChIKeyDUQLELMJYIYMNK-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[6-amino-3-(2,5-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094542
2-[6-chloro-3-(3-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131870588
2-[6-chloro-3-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 133094133
2-[5-fluoro-3-(2,4,5-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 133093945
2-[3-(3,4-dichlorophenyl)-6-fluoro-2-pyridinyl]acetonitrile
CID 133094368
2-(4,6-dichloropyridazin-3-yl)acetonitrile
CID 59851337
2-[6-amino-5-(2,4,5-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 119005753
2-[2-fluoro-3-(2,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 133093930
2-[3-chloro-5-(2,4-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094476
2-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]acetonitrile
CID 82430143
2-[6-(2,5-dichlorophenyl)-3-fluoro-2-pyridinyl]acetonitrile
CID 133094570
2-(4-chloropyridazin-3-yl)acetonitrile
CID 54339606

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-(2,4,5-trichlorophenyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-chloro-3-(2,4,5-trichlorophenyl)-2-pyridinyl]acetonitrile (CID 133093909) is 2-[6-chloro-3-(2,4,5-trichlorophenyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-chloro-3-(2,4,5-trichlorophenyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-chloro-3-(2,4,5-trichlorophenyl)-2-pyridinyl]acetonitrile is N#CCc1nc(Cl)ccc1-c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-[6-chloro-3-(2,4,5-trichlorophenyl)-2-pyridinyl]acetonitrile?
The InChIKey is DUQLELMJYIYMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl4N2/c14-9-6-11(16)10(15)5-8(9)7-1-2-13(17)19-12(7)3-4-18/h1-2,5-6H,3H2.
What are the key properties of 2-[6-chloro-3-(2,4,5-trichlorophenyl)-2-pyridinyl]acetonitrile?
2-[6-chloro-3-(2,4,5-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-[6-chloro-3-(2,4,5-trichlorophenyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 133093909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).