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

C13H7Cl3N2 — CID 119014344

IUPAC2-[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1ccc(-c2cc(Cl)cc(Cl)c2)nc1Cl
InChIInChI=1S/C13H7Cl3N2/c14-10-5-9(6-11(15)7-10)12-2-1-8(3-4-17)13(16)18-12/h1-2,5-7H,3H2
InChIKeyGPDSWFNZDTZKTG-UHFFFAOYSA-N
MW297.57 g/mol
LogP4.77
Rot. Bonds2

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

2-[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile (PubChem CID 119014344) has the molecular formula C13H7Cl3N2 and a molecular weight of 297.57 g/mol. Its IUPAC name is 2-[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile
PubChem CID119014344
Molecular FormulaC13H7Cl3N2
Molecular Weight297.57 g/mol
Exact Mass295.97
IUPAC Name2-[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1ccc(-c2cc(Cl)cc(Cl)c2)nc1Cl
InChIInChI=1S/C13H7Cl3N2/c14-10-5-9(6-11(15)7-10)12-2-1-8(3-4-17)13(16)18-12/h1-2,5-7H,3H2
InChIKeyGPDSWFNZDTZKTG-UHFFFAOYSA-N
XLogP4.77
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.57
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]methanol
CID 119008277
2-[2,3-bis(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094384
2-[2,6-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134618255
2-[2,6-bis(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094362
2-[2-chloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119010061
2-[5-amino-2-(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094441
2,6-bis(3,5-dichlorophenyl)pyridine-3-carbonitrile
CID 133094772
2-[6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 134636914
2-[2,3-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637207
2-[2-[3-chloro-5-[hydroxy(oxido)amino]phenyl]-3-methyl-4-pyridinyl]acetonitrile
CID 163904822
2-[2,6-bis[4-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
CID 134618326
2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075158

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile (CID 119014344) is 2-[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile is N#CCc1ccc(-c2cc(Cl)cc(Cl)c2)nc1Cl.
What is the InChIKey of 2-[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile?
The InChIKey is GPDSWFNZDTZKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2/c14-10-5-9(6-11(15)7-10)12-2-1-8(3-4-17)13(16)18-12/h1-2,5-7H,3H2.
What are the key properties of 2-[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile?
2-[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile has a molecular weight of 297.57 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 119014344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).