2-[(2-fluorophenyl)methoxy]-6-methylpyridine-3-carbonitrile

C14H11FN2O — CID 63937147

IUPAC2-[(2-fluorophenyl)methoxy]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(OCc2ccccc2F)n1
InChIInChI=1S/C14H11FN2O/c1-10-6-7-11(8-16)14(17-10)18-9-12-4-2-3-5-13(12)15/h2-7H,9H2,1H3
InChIKeyIWHVYLRKWIXXQU-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.98
Rot. Bonds3

About 2-[(2-fluorophenyl)methoxy]-6-methylpyridine-3-carbonitrile

2-[(2-fluorophenyl)methoxy]-6-methylpyridine-3-carbonitrile (PubChem CID 63937147) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methoxy]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methoxy]-6-methylpyridine-3-carbonitrile
PubChem CID63937147
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name2-[(2-fluorophenyl)methoxy]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(OCc2ccccc2F)n1
InChIInChI=1S/C14H11FN2O/c1-10-6-7-11(8-16)14(17-10)18-9-12-4-2-3-5-13(12)15/h2-7H,9H2,1H3
InChIKeyIWHVYLRKWIXXQU-UHFFFAOYSA-N
XLogP2.98
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methoxy]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[(2-fluorophenyl)methoxy]-6-methylpyridine-3-carbonitrile (CID 63937147) is 2-[(2-fluorophenyl)methoxy]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2-fluorophenyl)methoxy]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(2-fluorophenyl)methoxy]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(OCc2ccccc2F)n1.
What is the InChIKey of 2-[(2-fluorophenyl)methoxy]-6-methylpyridine-3-carbonitrile?
The InChIKey is IWHVYLRKWIXXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c1-10-6-7-11(8-16)14(17-10)18-9-12-4-2-3-5-13(12)15/h2-7H,9H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methoxy]-6-methylpyridine-3-carbonitrile?
2-[(2-fluorophenyl)methoxy]-6-methylpyridine-3-carbonitrile has a molecular weight of 242.25 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methoxy]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 63937147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).