5-[2-fluoro-4-(hydroxymethyl)phenoxy]pyridine-3-carbonitrile

C13H9FN2O2 — CID 66826150

IUPAC5-[2-fluoro-4-(hydroxymethyl)phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1cncc(Oc2ccc(CO)cc2F)c1
InChIInChI=1S/C13H9FN2O2/c14-12-4-9(8-17)1-2-13(12)18-11-3-10(5-15)6-16-7-11/h1-4,6-7,17H,8H2
InChIKeySEZJTSNMRZHIPB-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.38
Rot. Bonds3

About 5-[2-fluoro-4-(hydroxymethyl)phenoxy]pyridine-3-carbonitrile

5-[2-fluoro-4-(hydroxymethyl)phenoxy]pyridine-3-carbonitrile (PubChem CID 66826150) has the molecular formula C13H9FN2O2 and a molecular weight of 244.22 g/mol. Its IUPAC name is 5-[2-fluoro-4-(hydroxymethyl)phenoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-fluoro-4-(hydroxymethyl)phenoxy]pyridine-3-carbonitrile
PubChem CID66826150
Molecular FormulaC13H9FN2O2
Molecular Weight244.22 g/mol
Exact Mass244.06
IUPAC Name5-[2-fluoro-4-(hydroxymethyl)phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1cncc(Oc2ccc(CO)cc2F)c1
InChIInChI=1S/C13H9FN2O2/c14-12-4-9(8-17)1-2-13(12)18-11-3-10(5-15)6-16-7-11/h1-4,6-7,17H,8H2
InChIKeySEZJTSNMRZHIPB-UHFFFAOYSA-N
XLogP2.38
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(hydroxymethyl)phenoxy]pyridine-3-carbonitrile?
The IUPAC name of 5-[2-fluoro-4-(hydroxymethyl)phenoxy]pyridine-3-carbonitrile (CID 66826150) is 5-[2-fluoro-4-(hydroxymethyl)phenoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-fluoro-4-(hydroxymethyl)phenoxy]pyridine-3-carbonitrile?
The canonical SMILES for 5-[2-fluoro-4-(hydroxymethyl)phenoxy]pyridine-3-carbonitrile is N#Cc1cncc(Oc2ccc(CO)cc2F)c1.
What is the InChIKey of 5-[2-fluoro-4-(hydroxymethyl)phenoxy]pyridine-3-carbonitrile?
The InChIKey is SEZJTSNMRZHIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2/c14-12-4-9(8-17)1-2-13(12)18-11-3-10(5-15)6-16-7-11/h1-4,6-7,17H,8H2.
What are the key properties of 5-[2-fluoro-4-(hydroxymethyl)phenoxy]pyridine-3-carbonitrile?
5-[2-fluoro-4-(hydroxymethyl)phenoxy]pyridine-3-carbonitrile has a molecular weight of 244.22 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(hydroxymethyl)phenoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 66826150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).