2-(3-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)acetonitrile

C13H7Cl3N2 — CID 56604874

IUPAC2-(3-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)acetonitrile
SMILESN#CC(c1ccc(Cl)cc1Cl)c1ncccc1Cl
InChIInChI=1S/C13H7Cl3N2/c14-8-3-4-9(12(16)6-8)10(7-17)13-11(15)2-1-5-18-13/h1-6,10H
InChIKeyUIAJIKUKEXPLSN-UHFFFAOYSA-N
MW297.57 g/mol
LogP4.70
Rot. Bonds2

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

2-(3-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)acetonitrile (PubChem CID 56604874) has the molecular formula C13H7Cl3N2 and a molecular weight of 297.57 g/mol. Its IUPAC name is 2-(3-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(3-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)acetonitrile
PubChem CID56604874
Molecular FormulaC13H7Cl3N2
Molecular Weight297.57 g/mol
Exact Mass295.97
IUPAC Name2-(3-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)acetonitrile
SMILESN#CC(c1ccc(Cl)cc1Cl)c1ncccc1Cl
InChIInChI=1S/C13H7Cl3N2/c14-8-3-4-9(12(16)6-8)10(7-17)13-11(15)2-1-5-18-13/h1-6,10H
InChIKeyUIAJIKUKEXPLSN-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)acetonitrile?
The IUPAC name of 2-(3-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)acetonitrile (CID 56604874) is 2-(3-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)acetonitrile.
What is the SMILES notation for 2-(3-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)acetonitrile?
The canonical SMILES for 2-(3-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)acetonitrile is N#CC(c1ccc(Cl)cc1Cl)c1ncccc1Cl.
What is the InChIKey of 2-(3-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)acetonitrile?
The InChIKey is UIAJIKUKEXPLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2/c14-8-3-4-9(12(16)6-8)10(7-17)13-11(15)2-1-5-18-13/h1-6,10H.
What are the key properties of 2-(3-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)acetonitrile?
2-(3-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)acetonitrile has a molecular weight of 297.57 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)acetonitrile is sourced from PubChem (CID 56604874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).