2-[2-(4-butoxy-5-fluoro-3-methyl-2-pyridinyl)cyclopropyl]acetonitrile

C15H19FN2O — CID 54544922

IUPAC2-[2-(4-butoxy-5-fluoro-3-methyl-2-pyridinyl)cyclopropyl]acetonitrile
SMILESCCCCOc1c(F)cnc(C2CC2CC#N)c1C
InChIInChI=1S/C15H19FN2O/c1-3-4-7-19-15-10(2)14(18-9-13(15)16)12-8-11(12)5-6-17/h9,11-12H,3-5,7-8H2,1-2H3
InChIKeyZFVRHWIAXRQLEC-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.73
Rot. Bonds6

About 2-[2-(4-butoxy-5-fluoro-3-methyl-2-pyridinyl)cyclopropyl]acetonitrile

2-[2-(4-butoxy-5-fluoro-3-methyl-2-pyridinyl)cyclopropyl]acetonitrile (PubChem CID 54544922) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[2-(4-butoxy-5-fluoro-3-methyl-2-pyridinyl)cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(4-butoxy-5-fluoro-3-methyl-2-pyridinyl)cyclopropyl]acetonitrile
PubChem CID54544922
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name2-[2-(4-butoxy-5-fluoro-3-methyl-2-pyridinyl)cyclopropyl]acetonitrile
SMILESCCCCOc1c(F)cnc(C2CC2CC#N)c1C
InChIInChI=1S/C15H19FN2O/c1-3-4-7-19-15-10(2)14(18-9-13(15)16)12-8-11(12)5-6-17/h9,11-12H,3-5,7-8H2,1-2H3
InChIKeyZFVRHWIAXRQLEC-UHFFFAOYSA-N
XLogP3.73
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(4-butoxy-5-fluoro-3-methyl-2-pyridinyl)cyclopropyl]acetonitrile 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 2-[2-(4-butoxy-5-fluoro-3-methyl-2-pyridinyl)cyclopropyl]acetonitrile?
The IUPAC name of 2-[2-(4-butoxy-5-fluoro-3-methyl-2-pyridinyl)cyclopropyl]acetonitrile (CID 54544922) is 2-[2-(4-butoxy-5-fluoro-3-methyl-2-pyridinyl)cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[2-(4-butoxy-5-fluoro-3-methyl-2-pyridinyl)cyclopropyl]acetonitrile?
The canonical SMILES for 2-[2-(4-butoxy-5-fluoro-3-methyl-2-pyridinyl)cyclopropyl]acetonitrile is CCCCOc1c(F)cnc(C2CC2CC#N)c1C.
What is the InChIKey of 2-[2-(4-butoxy-5-fluoro-3-methyl-2-pyridinyl)cyclopropyl]acetonitrile?
The InChIKey is ZFVRHWIAXRQLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-3-4-7-19-15-10(2)14(18-9-13(15)16)12-8-11(12)5-6-17/h9,11-12H,3-5,7-8H2,1-2H3.
What are the key properties of 2-[2-(4-butoxy-5-fluoro-3-methyl-2-pyridinyl)cyclopropyl]acetonitrile?
2-[2-(4-butoxy-5-fluoro-3-methyl-2-pyridinyl)cyclopropyl]acetonitrile has a molecular weight of 262.33 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-butoxy-5-fluoro-3-methyl-2-pyridinyl)cyclopropyl]acetonitrile is sourced from PubChem (CID 54544922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).