3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]-4-methylphenol

C17H14FNOS — CID 67639136

IUPAC3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]-4-methylphenol
SMILESCc1ccc(O)cc1Cc1ccc(-c2ccc(F)nc2)s1
InChIInChI=1S/C17H14FNOS/c1-11-2-4-14(20)8-13(11)9-15-5-6-16(21-15)12-3-7-17(18)19-10-12/h2-8,10,20H,9H2,1H3
InChIKeyYETOMNNNHJOKTI-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.55
Rot. Bonds3

About 3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]-4-methylphenol

3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]-4-methylphenol (PubChem CID 67639136) has the molecular formula C17H14FNOS and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]-4-methylphenol.

Molecular Properties

Compound Name3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]-4-methylphenol
PubChem CID67639136
Molecular FormulaC17H14FNOS
Molecular Weight299.37 g/mol
Exact Mass299.08
IUPAC Name3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]-4-methylphenol
SMILESCc1ccc(O)cc1Cc1ccc(-c2ccc(F)nc2)s1
InChIInChI=1S/C17H14FNOS/c1-11-2-4-14(20)8-13(11)9-15-5-6-16(21-15)12-3-7-17(18)19-10-12/h2-8,10,20H,9H2,1H3
InChIKeyYETOMNNNHJOKTI-UHFFFAOYSA-N
XLogP4.55
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]-4-methylphenol?
The IUPAC name of 3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]-4-methylphenol (CID 67639136) is 3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]-4-methylphenol.
What is the SMILES notation for 3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]-4-methylphenol?
The canonical SMILES for 3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]-4-methylphenol is Cc1ccc(O)cc1Cc1ccc(-c2ccc(F)nc2)s1.
What is the InChIKey of 3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]-4-methylphenol?
The InChIKey is YETOMNNNHJOKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNOS/c1-11-2-4-14(20)8-13(11)9-15-5-6-16(21-15)12-3-7-17(18)19-10-12/h2-8,10,20H,9H2,1H3.
What are the key properties of 3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]-4-methylphenol?
3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]-4-methylphenol has a molecular weight of 299.37 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]methyl]-4-methylphenol is sourced from PubChem (CID 67639136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).