3-fluoro-5-(hydroxymethyl)-6-methoxypyridine-2-carbonitrile

C8H7FN2O2 — CID 55253048

IUPAC3-fluoro-5-(hydroxymethyl)-6-methoxypyridine-2-carbonitrile
SMILESCOc1nc(C#N)c(F)cc1CO
InChIInChI=1S/C8H7FN2O2/c1-13-8-5(4-12)2-6(9)7(3-10)11-8/h2,12H,4H2,1H3
InChIKeyFCCDMHIDWFKDIC-UHFFFAOYSA-N
MW182.15 g/mol
LogP0.59
Rot. Bonds2

About 3-fluoro-5-(hydroxymethyl)-6-methoxypyridine-2-carbonitrile

3-fluoro-5-(hydroxymethyl)-6-methoxypyridine-2-carbonitrile (PubChem CID 55253048) has the molecular formula C8H7FN2O2 and a molecular weight of 182.15 g/mol. Its IUPAC name is 3-fluoro-5-(hydroxymethyl)-6-methoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name3-fluoro-5-(hydroxymethyl)-6-methoxypyridine-2-carbonitrile
PubChem CID55253048
Molecular FormulaC8H7FN2O2
Molecular Weight182.15 g/mol
Exact Mass182.05
IUPAC Name3-fluoro-5-(hydroxymethyl)-6-methoxypyridine-2-carbonitrile
SMILESCOc1nc(C#N)c(F)cc1CO
InChIInChI=1S/C8H7FN2O2/c1-13-8-5(4-12)2-6(9)7(3-10)11-8/h2,12H,4H2,1H3
InChIKeyFCCDMHIDWFKDIC-UHFFFAOYSA-N
XLogP0.59
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(hydroxymethyl)-6-methoxypyridine-2-carbonitrile?
The IUPAC name of 3-fluoro-5-(hydroxymethyl)-6-methoxypyridine-2-carbonitrile (CID 55253048) is 3-fluoro-5-(hydroxymethyl)-6-methoxypyridine-2-carbonitrile.
What is the SMILES notation for 3-fluoro-5-(hydroxymethyl)-6-methoxypyridine-2-carbonitrile?
The canonical SMILES for 3-fluoro-5-(hydroxymethyl)-6-methoxypyridine-2-carbonitrile is COc1nc(C#N)c(F)cc1CO.
What is the InChIKey of 3-fluoro-5-(hydroxymethyl)-6-methoxypyridine-2-carbonitrile?
The InChIKey is FCCDMHIDWFKDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O2/c1-13-8-5(4-12)2-6(9)7(3-10)11-8/h2,12H,4H2,1H3.
What are the key properties of 3-fluoro-5-(hydroxymethyl)-6-methoxypyridine-2-carbonitrile?
3-fluoro-5-(hydroxymethyl)-6-methoxypyridine-2-carbonitrile has a molecular weight of 182.15 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(hydroxymethyl)-6-methoxypyridine-2-carbonitrile is sourced from PubChem (CID 55253048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).