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

C13H7Cl3N2 — CID 133094318

IUPAC2-[5-chloro-6-(2,6-dichlorophenyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1ccc(Cl)c(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H7Cl3N2/c14-9-2-1-3-10(15)12(9)13-11(16)5-4-8(18-13)6-7-17/h1-5H,6H2
InChIKeyOBZGSZKEXNYMKW-UHFFFAOYSA-N
MW297.57 g/mol
LogP4.77
Rot. Bonds2

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

2-[5-chloro-6-(2,6-dichlorophenyl)-2-pyridinyl]acetonitrile (PubChem CID 133094318) has the molecular formula C13H7Cl3N2 and a molecular weight of 297.57 g/mol. Its IUPAC name is 2-[5-chloro-6-(2,6-dichlorophenyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-chloro-6-(2,6-dichlorophenyl)-2-pyridinyl]acetonitrile
PubChem CID133094318
Molecular FormulaC13H7Cl3N2
Molecular Weight297.57 g/mol
Exact Mass295.97
IUPAC Name2-[5-chloro-6-(2,6-dichlorophenyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1ccc(Cl)c(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H7Cl3N2/c14-9-2-1-3-10(15)12(9)13-11(16)5-4-8(18-13)6-7-17/h1-5H,6H2
InChIKeyOBZGSZKEXNYMKW-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-chloro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 134625706
2-[5-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094500
2-[5-methoxy-6-(2,3,6-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094290
2-[5-amino-6-(3,4-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094408
2-[6-amino-5-(2,3,6-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 119003960
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-[3-chloro-2-(2,3,6-trichlorophenyl)phenyl]acetonitrile
CID 134630550
2-[5-methoxy-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 134636450
CID 89407865
CID 89407865
2-[2-(2,6-dichlorophenyl)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118802502
2-[6-[(3,5-dichlorophenyl)methoxy]-2-pyridinyl]acetonitrile
CID 169095719

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-6-(2,6-dichlorophenyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-chloro-6-(2,6-dichlorophenyl)-2-pyridinyl]acetonitrile (CID 133094318) is 2-[5-chloro-6-(2,6-dichlorophenyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-chloro-6-(2,6-dichlorophenyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-chloro-6-(2,6-dichlorophenyl)-2-pyridinyl]acetonitrile is N#CCc1ccc(Cl)c(-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 2-[5-chloro-6-(2,6-dichlorophenyl)-2-pyridinyl]acetonitrile?
The InChIKey is OBZGSZKEXNYMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2/c14-9-2-1-3-10(15)12(9)13-11(16)5-4-8(18-13)6-7-17/h1-5H,6H2.
What are the key properties of 2-[5-chloro-6-(2,6-dichlorophenyl)-2-pyridinyl]acetonitrile?
2-[5-chloro-6-(2,6-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-[5-chloro-6-(2,6-dichlorophenyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 133094318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).