2-chloro-5-(trichloromethyl)pyridine-3-carbonitrile

C7H2Cl4N2 — CID 5077889

IUPAC2-chloro-5-(trichloromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C(Cl)(Cl)Cl)cnc1Cl
InChIInChI=1S/C7H2Cl4N2/c8-6-4(2-12)1-5(3-13-6)7(9,10)11/h1,3H
InChIKeyGTAFBGFEKZNUNO-UHFFFAOYSA-N
MW255.92 g/mol
LogP3.43
Rot. Bonds

About 2-chloro-5-(trichloromethyl)pyridine-3-carbonitrile

2-chloro-5-(trichloromethyl)pyridine-3-carbonitrile (PubChem CID 5077889) has the molecular formula C7H2Cl4N2 and a molecular weight of 255.92 g/mol. Its IUPAC name is 2-chloro-5-(trichloromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-(trichloromethyl)pyridine-3-carbonitrile
PubChem CID5077889
Molecular FormulaC7H2Cl4N2
Molecular Weight255.92 g/mol
Exact Mass253.90
IUPAC Name2-chloro-5-(trichloromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C(Cl)(Cl)Cl)cnc1Cl
InChIInChI=1S/C7H2Cl4N2/c8-6-4(2-12)1-5(3-13-6)7(9,10)11/h1,3H
InChIKeyGTAFBGFEKZNUNO-UHFFFAOYSA-N
XLogP3.43
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.92
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(trichloromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-5-(trichloromethyl)pyridine-3-carbonitrile (CID 5077889) is 2-chloro-5-(trichloromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-5-(trichloromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-5-(trichloromethyl)pyridine-3-carbonitrile is N#Cc1cc(C(Cl)(Cl)Cl)cnc1Cl.
What is the InChIKey of 2-chloro-5-(trichloromethyl)pyridine-3-carbonitrile?
The InChIKey is GTAFBGFEKZNUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl4N2/c8-6-4(2-12)1-5(3-13-6)7(9,10)11/h1,3H.
What are the key properties of 2-chloro-5-(trichloromethyl)pyridine-3-carbonitrile?
2-chloro-5-(trichloromethyl)pyridine-3-carbonitrile has a molecular weight of 255.92 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(trichloromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5077889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).