2-fluoro-5-[5-[(2-methylphenyl)methyl]thiophen-2-yl]pyridine

C17H14FNS — CID 58224015

IUPAC2-fluoro-5-[5-[(2-methylphenyl)methyl]thiophen-2-yl]pyridine
SMILESCc1ccccc1Cc1ccc(-c2ccc(F)nc2)s1
InChIInChI=1S/C17H14FNS/c1-12-4-2-3-5-13(12)10-15-7-8-16(20-15)14-6-9-17(18)19-11-14/h2-9,11H,10H2,1H3
InChIKeyPPRJINPARSFOKJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.85
Rot. Bonds3

About 2-fluoro-5-[5-[(2-methylphenyl)methyl]thiophen-2-yl]pyridine

2-fluoro-5-[5-[(2-methylphenyl)methyl]thiophen-2-yl]pyridine (PubChem CID 58224015) has the molecular formula C17H14FNS and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-fluoro-5-[5-[(2-methylphenyl)methyl]thiophen-2-yl]pyridine.

Molecular Properties

Compound Name2-fluoro-5-[5-[(2-methylphenyl)methyl]thiophen-2-yl]pyridine
PubChem CID58224015
Molecular FormulaC17H14FNS
Molecular Weight283.37 g/mol
Exact Mass283.08
IUPAC Name2-fluoro-5-[5-[(2-methylphenyl)methyl]thiophen-2-yl]pyridine
SMILESCc1ccccc1Cc1ccc(-c2ccc(F)nc2)s1
InChIInChI=1S/C17H14FNS/c1-12-4-2-3-5-13(12)10-15-7-8-16(20-15)14-6-9-17(18)19-11-14/h2-9,11H,10H2,1H3
InChIKeyPPRJINPARSFOKJ-UHFFFAOYSA-N
XLogP4.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-fluoro-5-[5-[(2-methylphenyl)methyl]thiophen-2-yl]pyridine?
The IUPAC name of 2-fluoro-5-[5-[(2-methylphenyl)methyl]thiophen-2-yl]pyridine (CID 58224015) is 2-fluoro-5-[5-[(2-methylphenyl)methyl]thiophen-2-yl]pyridine.
What is the SMILES notation for 2-fluoro-5-[5-[(2-methylphenyl)methyl]thiophen-2-yl]pyridine?
The canonical SMILES for 2-fluoro-5-[5-[(2-methylphenyl)methyl]thiophen-2-yl]pyridine is Cc1ccccc1Cc1ccc(-c2ccc(F)nc2)s1.
What is the InChIKey of 2-fluoro-5-[5-[(2-methylphenyl)methyl]thiophen-2-yl]pyridine?
The InChIKey is PPRJINPARSFOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNS/c1-12-4-2-3-5-13(12)10-15-7-8-16(20-15)14-6-9-17(18)19-11-14/h2-9,11H,10H2,1H3.
What are the key properties of 2-fluoro-5-[5-[(2-methylphenyl)methyl]thiophen-2-yl]pyridine?
2-fluoro-5-[5-[(2-methylphenyl)methyl]thiophen-2-yl]pyridine has a molecular weight of 283.37 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[5-[(2-methylphenyl)methyl]thiophen-2-yl]pyridine is sourced from PubChem (CID 58224015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).