2-chloro-6-(5-fluoro-2-methoxyphenyl)-5-methylpyridine-3-carbonitrile

C14H10ClFN2O — CID 94285487

IUPAC2-chloro-6-(5-fluoro-2-methoxyphenyl)-5-methylpyridine-3-carbonitrile
SMILESCOc1ccc(F)cc1-c1nc(Cl)c(C#N)cc1C
InChIInChI=1S/C14H10ClFN2O/c1-8-5-9(7-17)14(15)18-13(8)11-6-10(16)3-4-12(11)19-2/h3-6H,1-2H3
InChIKeyFSIIYYCENTVBJV-UHFFFAOYSA-N
MW276.70 g/mol
LogP3.73
Rot. Bonds2

About 2-chloro-6-(5-fluoro-2-methoxyphenyl)-5-methylpyridine-3-carbonitrile

2-chloro-6-(5-fluoro-2-methoxyphenyl)-5-methylpyridine-3-carbonitrile (PubChem CID 94285487) has the molecular formula C14H10ClFN2O and a molecular weight of 276.70 g/mol. Its IUPAC name is 2-chloro-6-(5-fluoro-2-methoxyphenyl)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(5-fluoro-2-methoxyphenyl)-5-methylpyridine-3-carbonitrile
PubChem CID94285487
Molecular FormulaC14H10ClFN2O
Molecular Weight276.70 g/mol
Exact Mass276.05
IUPAC Name2-chloro-6-(5-fluoro-2-methoxyphenyl)-5-methylpyridine-3-carbonitrile
SMILESCOc1ccc(F)cc1-c1nc(Cl)c(C#N)cc1C
InChIInChI=1S/C14H10ClFN2O/c1-8-5-9(7-17)14(15)18-13(8)11-6-10(16)3-4-12(11)19-2/h3-6H,1-2H3
InChIKeyFSIIYYCENTVBJV-UHFFFAOYSA-N
XLogP3.73
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-6-(5-fluoro-2-methoxyphenyl)pyridine-3-carbonitrile
CID 94280993
2-chloro-5-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile
CID 114834305
2-chloro-5,6-dimethylpyridine-3-carbonitrile
CID 12891106
2-chloro-6-(difluoromethyl)-5-methoxypyridine-3-carbonitrile
CID 119019871
4-fluoro-2-(4-methoxyphenyl)benzonitrile
CID 67042916
3-(5-fluoro-2-methoxyphenyl)-5,6-dimethyl-1H-pyrazine-2-thione
CID 106518375
5-(bromomethyl)-4-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-oxazole
CID 82135165
4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine
CID 82390103
3-(6-amino-3,5-dichloro-2-pyridinyl)-4-methoxybenzonitrile
CID 106951535
5-(5-fluoro-2-methoxyphenyl)-2-methylphenol
CID 53218963
2-chloro-5-(5-fluoro-2-methoxyphenyl)pyridine
CID 154604158
2-chloro-6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-fluoropyridine-3-carbonitrile
CID 171505548

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(5-fluoro-2-methoxyphenyl)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-(5-fluoro-2-methoxyphenyl)-5-methylpyridine-3-carbonitrile (CID 94285487) is 2-chloro-6-(5-fluoro-2-methoxyphenyl)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-(5-fluoro-2-methoxyphenyl)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-(5-fluoro-2-methoxyphenyl)-5-methylpyridine-3-carbonitrile is COc1ccc(F)cc1-c1nc(Cl)c(C#N)cc1C.
What is the InChIKey of 2-chloro-6-(5-fluoro-2-methoxyphenyl)-5-methylpyridine-3-carbonitrile?
The InChIKey is FSIIYYCENTVBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O/c1-8-5-9(7-17)14(15)18-13(8)11-6-10(16)3-4-12(11)19-2/h3-6H,1-2H3.
What are the key properties of 2-chloro-6-(5-fluoro-2-methoxyphenyl)-5-methylpyridine-3-carbonitrile?
2-chloro-6-(5-fluoro-2-methoxyphenyl)-5-methylpyridine-3-carbonitrile has a molecular weight of 276.70 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(5-fluoro-2-methoxyphenyl)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 94285487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).