2-chloro-5-(2-chloro-6-fluorophenyl)pyridine-3-carbonitrile

C12H5Cl2FN2 — CID 82122908

IUPAC2-chloro-5-(2-chloro-6-fluorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2c(F)cccc2Cl)cnc1Cl
InChIInChI=1S/C12H5Cl2FN2/c13-9-2-1-3-10(15)11(9)8-4-7(5-16)12(14)17-6-8/h1-4,6H
InChIKeyYLZGJDCCLCSHJF-UHFFFAOYSA-N
MW267.09 g/mol
LogP4.07
Rot. Bonds1

About 2-chloro-5-(2-chloro-6-fluorophenyl)pyridine-3-carbonitrile

2-chloro-5-(2-chloro-6-fluorophenyl)pyridine-3-carbonitrile (PubChem CID 82122908) has the molecular formula C12H5Cl2FN2 and a molecular weight of 267.09 g/mol. Its IUPAC name is 2-chloro-5-(2-chloro-6-fluorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-(2-chloro-6-fluorophenyl)pyridine-3-carbonitrile
PubChem CID82122908
Molecular FormulaC12H5Cl2FN2
Molecular Weight267.09 g/mol
Exact Mass265.98
IUPAC Name2-chloro-5-(2-chloro-6-fluorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2c(F)cccc2Cl)cnc1Cl
InChIInChI=1S/C12H5Cl2FN2/c13-9-2-1-3-10(15)11(9)8-4-7(5-16)12(14)17-6-8/h1-4,6H
InChIKeyYLZGJDCCLCSHJF-UHFFFAOYSA-N
XLogP4.07
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 54.07
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

5-(2-chloro-6-fluorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile
CID 94284848
2-chloro-5-(2,5-dichlorophenyl)pyridine-3-carbonitrile
CID 133094822
2,3-dichloro-5-(2,6-dichlorophenyl)pyridine
CID 118826487
2-chloro-5-(3,4,5-trichlorophenyl)pyridine-3-carbonitrile
CID 118994258
5-(6-amino-3-pyridinyl)-2-chloropyridine-3-carbonitrile
CID 171351160
2-chloro-5-(2,6-dimethyl-4-pyridinyl)pyridine-3-carbonitrile
CID 20517022
2-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 118998520
2-(3,5-dichlorophenyl)-3-fluorobenzonitrile
CID 134623799
2-chloro-5-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 82120608
5-(2-chloro-6-fluorophenyl)-2-nitropyridine
CID 165487980
1-chloro-3-fluoro-2-(4-fluorophenyl)benzene
CID 57094846
2-(2-chloro-6-fluorophenyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile
CID 629241

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-chloro-6-fluorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-5-(2-chloro-6-fluorophenyl)pyridine-3-carbonitrile (CID 82122908) is 2-chloro-5-(2-chloro-6-fluorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-5-(2-chloro-6-fluorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-5-(2-chloro-6-fluorophenyl)pyridine-3-carbonitrile is N#Cc1cc(-c2c(F)cccc2Cl)cnc1Cl.
What is the InChIKey of 2-chloro-5-(2-chloro-6-fluorophenyl)pyridine-3-carbonitrile?
The InChIKey is YLZGJDCCLCSHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl2FN2/c13-9-2-1-3-10(15)11(9)8-4-7(5-16)12(14)17-6-8/h1-4,6H.
What are the key properties of 2-chloro-5-(2-chloro-6-fluorophenyl)pyridine-3-carbonitrile?
2-chloro-5-(2-chloro-6-fluorophenyl)pyridine-3-carbonitrile has a molecular weight of 267.09 g/mol, XLogP of 4.07, 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-chloro-6-fluorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 82122908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).