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

C13H9FN2O2 — CID 1484341

IUPAC2-(4-fluorophenoxy)-4-methoxypyridine-3-carbonitrile
SMILESCOc1ccnc(Oc2ccc(F)cc2)c1C#N
InChIInChI=1S/C13H9FN2O2/c1-17-12-6-7-16-13(11(12)8-15)18-10-4-2-9(14)3-5-10/h2-7H,1H3
InChIKeyQHTGWHWTYXVZDX-UHFFFAOYSA-N
MW244.23 g/mol
LogP2.89
Rot. Bonds3

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

2-(4-fluorophenoxy)-4-methoxypyridine-3-carbonitrile (PubChem CID 1484341) has the molecular formula C13H9FN2O2 and a molecular weight of 244.23 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-4-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-4-methoxypyridine-3-carbonitrile
PubChem CID1484341
Molecular FormulaC13H9FN2O2
Molecular Weight244.23 g/mol
Exact Mass244.06
IUPAC Name2-(4-fluorophenoxy)-4-methoxypyridine-3-carbonitrile
SMILESCOc1ccnc(Oc2ccc(F)cc2)c1C#N
InChIInChI=1S/C13H9FN2O2/c1-17-12-6-7-16-13(11(12)8-15)18-10-4-2-9(14)3-5-10/h2-7H,1H3
InChIKeyQHTGWHWTYXVZDX-UHFFFAOYSA-N
XLogP2.89
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-4-methoxypyridine-3-carbonitrile?
The IUPAC name of 2-(4-fluorophenoxy)-4-methoxypyridine-3-carbonitrile (CID 1484341) is 2-(4-fluorophenoxy)-4-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-fluorophenoxy)-4-methoxypyridine-3-carbonitrile?
The canonical SMILES for 2-(4-fluorophenoxy)-4-methoxypyridine-3-carbonitrile is COc1ccnc(Oc2ccc(F)cc2)c1C#N.
What is the InChIKey of 2-(4-fluorophenoxy)-4-methoxypyridine-3-carbonitrile?
The InChIKey is QHTGWHWTYXVZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2/c1-17-12-6-7-16-13(11(12)8-15)18-10-4-2-9(14)3-5-10/h2-7H,1H3.
What are the key properties of 2-(4-fluorophenoxy)-4-methoxypyridine-3-carbonitrile?
2-(4-fluorophenoxy)-4-methoxypyridine-3-carbonitrile has a molecular weight of 244.23 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-4-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 1484341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).