4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile

C13H9FN2O — CID 1488773

IUPAC4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile
SMILESCOc1nccc(-c2ccc(F)cc2)c1C#N
InChIInChI=1S/C13H9FN2O/c1-17-13-12(8-15)11(6-7-16-13)9-2-4-10(14)5-3-9/h2-7H,1H3
InChIKeyIFUUGLMLKKBKIR-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.77
Rot. Bonds2

About 4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile

4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile (PubChem CID 1488773) has the molecular formula C13H9FN2O and a molecular weight of 228.23 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile
PubChem CID1488773
Molecular FormulaC13H9FN2O
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile
SMILESCOc1nccc(-c2ccc(F)cc2)c1C#N
InChIInChI=1S/C13H9FN2O/c1-17-13-12(8-15)11(6-7-16-13)9-2-4-10(14)5-3-9/h2-7H,1H3
InChIKeyIFUUGLMLKKBKIR-UHFFFAOYSA-N
XLogP2.77
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile (CID 1488773) is 4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile is COc1nccc(-c2ccc(F)cc2)c1C#N.
What is the InChIKey of 4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile?
The InChIKey is IFUUGLMLKKBKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O/c1-17-13-12(8-15)11(6-7-16-13)9-2-4-10(14)5-3-9/h2-7H,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile?
4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile has a molecular weight of 228.23 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 1488773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).