2-fluoro-5-[4-(4-methylphenyl)thiophen-3-yl]pyridine

C16H12FNS — CID 21350387

IUPAC2-fluoro-5-[4-(4-methylphenyl)thiophen-3-yl]pyridine
SMILESCc1ccc(-c2cscc2-c2ccc(F)nc2)cc1
InChIInChI=1S/C16H12FNS/c1-11-2-4-12(5-3-11)14-9-19-10-15(14)13-6-7-16(17)18-8-13/h2-10H,1H3
InChIKeyADKPEXSRLMUOCB-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.92
Rot. Bonds2

About 2-fluoro-5-[4-(4-methylphenyl)thiophen-3-yl]pyridine

2-fluoro-5-[4-(4-methylphenyl)thiophen-3-yl]pyridine (PubChem CID 21350387) has the molecular formula C16H12FNS and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-fluoro-5-[4-(4-methylphenyl)thiophen-3-yl]pyridine.

Molecular Properties

Compound Name2-fluoro-5-[4-(4-methylphenyl)thiophen-3-yl]pyridine
PubChem CID21350387
Molecular FormulaC16H12FNS
Molecular Weight269.34 g/mol
Exact Mass269.07
IUPAC Name2-fluoro-5-[4-(4-methylphenyl)thiophen-3-yl]pyridine
SMILESCc1ccc(-c2cscc2-c2ccc(F)nc2)cc1
InChIInChI=1S/C16H12FNS/c1-11-2-4-12(5-3-11)14-9-19-10-15(14)13-6-7-16(17)18-8-13/h2-10H,1H3
InChIKeyADKPEXSRLMUOCB-UHFFFAOYSA-N
XLogP4.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.92
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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Related Compounds

2-fluoro-5-methylpyridine
CID 2774635
2-fluoro-4-(6-fluoro-3-pyridinyl)-5-methylaniline
CID 172564495
5-(2-chloro-5-fluoro-4-methylphenyl)-2-fluoropyridine
CID 170620232
3-bromo-4-(4-methylphenyl)thiophene
CID 19789709
5-(2,3-difluorophenyl)-2-fluoropyridine
CID 133088992
4-(4-fluorophenyl)-1,7-dimethylisoquinoline
CID 134869171
1-[4-(6-fluoro-3-pyridinyl)phenyl]ethanone
CID 58362655
2-fluoro-4-[4-(4-methylphenyl)thiophen-3-yl]benzenesulfonamide
CID 139972035
2-(6-fluoro-3-pyridinyl)-5-iodo-1,3,4-thiadiazole
CID 135397072
2-fluoro-5-(4-methoxyphenyl)pyridine
CID 26985626
3-(6-fluoro-3-pyridinyl)-5-methylbenzaldehyde
CID 53485983
N-(6-fluoro-3-pyridinyl)-4-methylthiophene-3-carboxamide
CID 103789592

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[4-(4-methylphenyl)thiophen-3-yl]pyridine?
The IUPAC name of 2-fluoro-5-[4-(4-methylphenyl)thiophen-3-yl]pyridine (CID 21350387) is 2-fluoro-5-[4-(4-methylphenyl)thiophen-3-yl]pyridine.
What is the SMILES notation for 2-fluoro-5-[4-(4-methylphenyl)thiophen-3-yl]pyridine?
The canonical SMILES for 2-fluoro-5-[4-(4-methylphenyl)thiophen-3-yl]pyridine is Cc1ccc(-c2cscc2-c2ccc(F)nc2)cc1.
What is the InChIKey of 2-fluoro-5-[4-(4-methylphenyl)thiophen-3-yl]pyridine?
The InChIKey is ADKPEXSRLMUOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNS/c1-11-2-4-12(5-3-11)14-9-19-10-15(14)13-6-7-16(17)18-8-13/h2-10H,1H3.
What are the key properties of 2-fluoro-5-[4-(4-methylphenyl)thiophen-3-yl]pyridine?
2-fluoro-5-[4-(4-methylphenyl)thiophen-3-yl]pyridine has a molecular weight of 269.34 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[4-(4-methylphenyl)thiophen-3-yl]pyridine is sourced from PubChem (CID 21350387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).