2-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

C13H6ClF3N2 — CID 118998520

IUPAC2-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2C(F)(F)F)cnc1Cl
InChIInChI=1S/C13H6ClF3N2/c14-12-8(6-18)5-9(7-19-12)10-3-1-2-4-11(10)13(15,16)17/h1-5,7H
InChIKeyYVJQHQVIHIBFMR-UHFFFAOYSA-N
MW282.65 g/mol
LogP4.29
Rot. Bonds1

About 2-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

2-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (PubChem CID 118998520) has the molecular formula C13H6ClF3N2 and a molecular weight of 282.65 g/mol. Its IUPAC name is 2-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
PubChem CID118998520
Molecular FormulaC13H6ClF3N2
Molecular Weight282.65 g/mol
Exact Mass282.02
IUPAC Name2-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2C(F)(F)F)cnc1Cl
InChIInChI=1S/C13H6ClF3N2/c14-12-8(6-18)5-9(7-19-12)10-3-1-2-4-11(10)13(15,16)17/h1-5,7H
InChIKeyYVJQHQVIHIBFMR-UHFFFAOYSA-N
XLogP4.29
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 54.29
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

2,3-dichloro-5-[2-(trifluoromethyl)phenyl]pyridine
CID 118815216
3,5-bis[2-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
CID 134623343
2-amino-5-[2-(trifluoromethyl)phenyl]benzonitrile
CID 118839696
2-[3,5-bis[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 134623346
2-chloro-5-(2,5-dichlorophenyl)pyridine-3-carbonitrile
CID 133094822
2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine
CID 145031967
2,5-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine
CID 134624057
2-chloro-5-(2-chloro-6-fluorophenyl)pyridine-3-carbonitrile
CID 82122908
2-chloro-5-(3,4,5-trichlorophenyl)pyridine-3-carbonitrile
CID 118994258
5-(6-amino-3-pyridinyl)-2-chloropyridine-3-carbonitrile
CID 171351160
3,5-dichloro-2-[2-(trifluoromethyl)phenyl]pyridine
CID 134623597
2-chloro-5-(2,6-dimethyl-4-pyridinyl)pyridine-3-carbonitrile
CID 20517022

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (CID 118998520) is 2-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is N#Cc1cc(-c2ccccc2C(F)(F)F)cnc1Cl.
What is the InChIKey of 2-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The InChIKey is YVJQHQVIHIBFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3N2/c14-12-8(6-18)5-9(7-19-12)10-3-1-2-4-11(10)13(15,16)17/h1-5,7H.
What are the key properties of 2-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
2-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile has a molecular weight of 282.65 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 118998520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).