3-[6-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-5-(hydroxymethyl)benzonitrile

C17H11FN4O — CID 152811651

IUPAC3-[6-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-5-(hydroxymethyl)benzonitrile
SMILESN#Cc1cc(CO)cc(-c2cc(-c3ccc(F)cn3)ncn2)c1
InChIInChI=1S/C17H11FN4O/c18-14-1-2-15(20-8-14)17-6-16(21-10-22-17)13-4-11(7-19)3-12(5-13)9-23/h1-6,8,10,23H,9H2
InChIKeySRGZSMLWULJFQY-UHFFFAOYSA-N
MW306.30 g/mol
LogP2.71
Rot. Bonds3

About 3-[6-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-5-(hydroxymethyl)benzonitrile

3-[6-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-5-(hydroxymethyl)benzonitrile (PubChem CID 152811651) has the molecular formula C17H11FN4O and a molecular weight of 306.30 g/mol. Its IUPAC name is 3-[6-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-5-(hydroxymethyl)benzonitrile.

Molecular Properties

Compound Name3-[6-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-5-(hydroxymethyl)benzonitrile
PubChem CID152811651
Molecular FormulaC17H11FN4O
Molecular Weight306.30 g/mol
Exact Mass306.09
IUPAC Name3-[6-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-5-(hydroxymethyl)benzonitrile
SMILESN#Cc1cc(CO)cc(-c2cc(-c3ccc(F)cn3)ncn2)c1
InChIInChI=1S/C17H11FN4O/c18-14-1-2-15(20-8-14)17-6-16(21-10-22-17)13-4-11(7-19)3-12(5-13)9-23/h1-6,8,10,23H,9H2
InChIKeySRGZSMLWULJFQY-UHFFFAOYSA-N
XLogP2.71
TPSA82.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[6-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-5-(hydroxymethyl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-5-(hydroxymethyl)benzonitrile?
The IUPAC name of 3-[6-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-5-(hydroxymethyl)benzonitrile (CID 152811651) is 3-[6-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-5-(hydroxymethyl)benzonitrile.
What is the SMILES notation for 3-[6-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-5-(hydroxymethyl)benzonitrile?
The canonical SMILES for 3-[6-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-5-(hydroxymethyl)benzonitrile is N#Cc1cc(CO)cc(-c2cc(-c3ccc(F)cn3)ncn2)c1.
What is the InChIKey of 3-[6-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-5-(hydroxymethyl)benzonitrile?
The InChIKey is SRGZSMLWULJFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O/c18-14-1-2-15(20-8-14)17-6-16(21-10-22-17)13-4-11(7-19)3-12(5-13)9-23/h1-6,8,10,23H,9H2.
What are the key properties of 3-[6-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-5-(hydroxymethyl)benzonitrile?
3-[6-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-5-(hydroxymethyl)benzonitrile has a molecular weight of 306.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-5-(hydroxymethyl)benzonitrile is sourced from PubChem (CID 152811651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).