[2-[2-(3-fluorophenyl)ethynyl]-6-methyl-4-pyridinyl]methanol

C15H12FNO — CID 18763137

IUPAC[2-[2-(3-fluorophenyl)ethynyl]-6-methyl-4-pyridinyl]methanol
SMILESCc1cc(CO)cc(C#Cc2cccc(F)c2)n1
InChIInChI=1S/C15H12FNO/c1-11-7-13(10-18)9-15(17-11)6-5-12-3-2-4-14(16)8-12/h2-4,7-9,18H,10H2,1H3
InChIKeyPBTPZSVLSMOVPW-UHFFFAOYSA-N
MW241.26 g/mol
LogP2.42
Rot. Bonds1

About [2-[2-(3-fluorophenyl)ethynyl]-6-methyl-4-pyridinyl]methanol

[2-[2-(3-fluorophenyl)ethynyl]-6-methyl-4-pyridinyl]methanol (PubChem CID 18763137) has the molecular formula C15H12FNO and a molecular weight of 241.26 g/mol. Its IUPAC name is [2-[2-(3-fluorophenyl)ethynyl]-6-methyl-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[2-(3-fluorophenyl)ethynyl]-6-methyl-4-pyridinyl]methanol
PubChem CID18763137
Molecular FormulaC15H12FNO
Molecular Weight241.26 g/mol
Exact Mass241.09
IUPAC Name[2-[2-(3-fluorophenyl)ethynyl]-6-methyl-4-pyridinyl]methanol
SMILESCc1cc(CO)cc(C#Cc2cccc(F)c2)n1
InChIInChI=1S/C15H12FNO/c1-11-7-13(10-18)9-15(17-11)6-5-12-3-2-4-14(16)8-12/h2-4,7-9,18H,10H2,1H3
InChIKeyPBTPZSVLSMOVPW-UHFFFAOYSA-N
XLogP2.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-[2-(3-fluorophenyl)ethynyl]-6-methyl-4-pyridinyl]methanol 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-(3-fluorophenyl)ethynyl]-6-methyl-4-pyridinyl]methanol?
The IUPAC name of [2-[2-(3-fluorophenyl)ethynyl]-6-methyl-4-pyridinyl]methanol (CID 18763137) is [2-[2-(3-fluorophenyl)ethynyl]-6-methyl-4-pyridinyl]methanol.
What is the SMILES notation for [2-[2-(3-fluorophenyl)ethynyl]-6-methyl-4-pyridinyl]methanol?
The canonical SMILES for [2-[2-(3-fluorophenyl)ethynyl]-6-methyl-4-pyridinyl]methanol is Cc1cc(CO)cc(C#Cc2cccc(F)c2)n1.
What is the InChIKey of [2-[2-(3-fluorophenyl)ethynyl]-6-methyl-4-pyridinyl]methanol?
The InChIKey is PBTPZSVLSMOVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c1-11-7-13(10-18)9-15(17-11)6-5-12-3-2-4-14(16)8-12/h2-4,7-9,18H,10H2,1H3.
What are the key properties of [2-[2-(3-fluorophenyl)ethynyl]-6-methyl-4-pyridinyl]methanol?
[2-[2-(3-fluorophenyl)ethynyl]-6-methyl-4-pyridinyl]methanol has a molecular weight of 241.26 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-fluorophenyl)ethynyl]-6-methyl-4-pyridinyl]methanol is sourced from PubChem (CID 18763137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).