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

C13H7Cl3N2 — CID 133094476

IUPAC2-[3-chloro-5-(2,4-dichlorophenyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1ncc(-c2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C13H7Cl3N2/c14-9-1-2-10(11(15)6-9)8-5-12(16)13(3-4-17)18-7-8/h1-2,5-7H,3H2
InChIKeyVIRQPBNJOOGQRF-UHFFFAOYSA-N
MW297.57 g/mol
LogP4.77
Rot. Bonds2

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

2-[3-chloro-5-(2,4-dichlorophenyl)-2-pyridinyl]acetonitrile (PubChem CID 133094476) has the molecular formula C13H7Cl3N2 and a molecular weight of 297.57 g/mol. Its IUPAC name is 2-[3-chloro-5-(2,4-dichlorophenyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-chloro-5-(2,4-dichlorophenyl)-2-pyridinyl]acetonitrile
PubChem CID133094476
Molecular FormulaC13H7Cl3N2
Molecular Weight297.57 g/mol
Exact Mass295.97
IUPAC Name2-[3-chloro-5-(2,4-dichlorophenyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1ncc(-c2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C13H7Cl3N2/c14-9-1-2-10(11(15)6-9)8-5-12(16)13(3-4-17)18-7-8/h1-2,5-7H,3H2
InChIKeyVIRQPBNJOOGQRF-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

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Related Compounds

2-[5-(2,4-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094455
2-[5-(2,4-dichlorophenyl)-2-fluoro-3-pyridinyl]acetonitrile
CID 133094509
2-[6-amino-3-(2,5-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094542
2-[5-(2,4-dichlorophenyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 133093077
2-[5-(2,5-dichlorophenyl)-2-methoxy-3-pyridinyl]acetonitrile
CID 133094539
2-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118847565
2-[5-(2,4-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 133093069
2-[6-(2,5-dichlorophenyl)-3-fluoro-2-pyridinyl]acetonitrile
CID 133094570
5-(2,4-dichlorophenyl)-2-methylpyridine
CID 57069565
2-[3-chloro-5-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088297
2-[5-chloro-2-(cyanomethyl)-3-pyridinyl]acetonitrile
CID 55266700
2-[2-(2,4-dichlorophenyl)-6-fluorophenyl]acetonitrile
CID 118818713

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(2,4-dichlorophenyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-chloro-5-(2,4-dichlorophenyl)-2-pyridinyl]acetonitrile (CID 133094476) is 2-[3-chloro-5-(2,4-dichlorophenyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-chloro-5-(2,4-dichlorophenyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-chloro-5-(2,4-dichlorophenyl)-2-pyridinyl]acetonitrile is N#CCc1ncc(-c2ccc(Cl)cc2Cl)cc1Cl.
What is the InChIKey of 2-[3-chloro-5-(2,4-dichlorophenyl)-2-pyridinyl]acetonitrile?
The InChIKey is VIRQPBNJOOGQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2/c14-9-1-2-10(11(15)6-9)8-5-12(16)13(3-4-17)18-7-8/h1-2,5-7H,3H2.
What are the key properties of 2-[3-chloro-5-(2,4-dichlorophenyl)-2-pyridinyl]acetonitrile?
2-[3-chloro-5-(2,4-dichlorophenyl)-2-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-[3-chloro-5-(2,4-dichlorophenyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 133094476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).