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

C13H8ClFN2 — CID 114834305

IUPAC2-chloro-5-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile
SMILESCc1nc(Cl)c(C#N)cc1-c1cccc(F)c1
InChIInChI=1S/C13H8ClFN2/c1-8-12(6-10(7-16)13(14)17-8)9-3-2-4-11(15)5-9/h2-6H,1H3
InChIKeyNZGHZTFEDQISCL-UHFFFAOYSA-N
MW246.67 g/mol
LogP3.72
Rot. Bonds1

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

2-chloro-5-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile (PubChem CID 114834305) has the molecular formula C13H8ClFN2 and a molecular weight of 246.67 g/mol. Its IUPAC name is 2-chloro-5-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile
PubChem CID114834305
Molecular FormulaC13H8ClFN2
Molecular Weight246.67 g/mol
Exact Mass246.04
IUPAC Name2-chloro-5-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile
SMILESCc1nc(Cl)c(C#N)cc1-c1cccc(F)c1
InChIInChI=1S/C13H8ClFN2/c1-8-12(6-10(7-16)13(14)17-8)9-3-2-4-11(15)5-9/h2-6H,1H3
InChIKeyNZGHZTFEDQISCL-UHFFFAOYSA-N
XLogP3.72
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 53.72
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-chloro-5-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile (CID 114834305) is 2-chloro-5-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-5-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-5-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile is Cc1nc(Cl)c(C#N)cc1-c1cccc(F)c1.
What is the InChIKey of 2-chloro-5-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is NZGHZTFEDQISCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2/c1-8-12(6-10(7-16)13(14)17-8)9-3-2-4-11(15)5-9/h2-6H,1H3.
What are the key properties of 2-chloro-5-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile?
2-chloro-5-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile has a molecular weight of 246.67 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 114834305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).