3-fluoro-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile

C14H17FN2O — CID 176983892

IUPAC3-fluoro-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile
SMILESCC1(C)CC(C)(C)C1Oc1cnc(C#N)c(F)c1
InChIInChI=1S/C14H17FN2O/c1-13(2)8-14(3,4)12(13)18-9-5-10(15)11(6-16)17-7-9/h5,7,12H,8H2,1-4H3
InChIKeyKOZJPKPVXIEQKU-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.30
Rot. Bonds2

About 3-fluoro-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile

3-fluoro-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile (PubChem CID 176983892) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 3-fluoro-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile.

Molecular Properties

Compound Name3-fluoro-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile
PubChem CID176983892
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name3-fluoro-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile
SMILESCC1(C)CC(C)(C)C1Oc1cnc(C#N)c(F)c1
InChIInChI=1S/C14H17FN2O/c1-13(2)8-14(3,4)12(13)18-9-5-10(15)11(6-16)17-7-9/h5,7,12H,8H2,1-4H3
InChIKeyKOZJPKPVXIEQKU-UHFFFAOYSA-N
XLogP3.30
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile 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-fluoro-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile?
The IUPAC name of 3-fluoro-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile (CID 176983892) is 3-fluoro-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile.
What is the SMILES notation for 3-fluoro-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile?
The canonical SMILES for 3-fluoro-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile is CC1(C)CC(C)(C)C1Oc1cnc(C#N)c(F)c1.
What is the InChIKey of 3-fluoro-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile?
The InChIKey is KOZJPKPVXIEQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-13(2)8-14(3,4)12(13)18-9-5-10(15)11(6-16)17-7-9/h5,7,12H,8H2,1-4H3.
What are the key properties of 3-fluoro-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile?
3-fluoro-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile has a molecular weight of 248.30 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile is sourced from PubChem (CID 176983892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).