4-(4,5-dimethylthiophen-2-yl)-2-fluoropyridine

C11H10FNS — CID 58095055

IUPAC4-(4,5-dimethylthiophen-2-yl)-2-fluoropyridine
SMILESCc1cc(-c2ccnc(F)c2)sc1C
InChIInChI=1S/C11H10FNS/c1-7-5-10(14-8(7)2)9-3-4-13-11(12)6-9/h3-6H,1-2H3
InChIKeyALRRFQINZSELLQ-UHFFFAOYSA-N
MW207.27 g/mol
LogP3.57
Rot. Bonds1

About 4-(4,5-dimethylthiophen-2-yl)-2-fluoropyridine

4-(4,5-dimethylthiophen-2-yl)-2-fluoropyridine (PubChem CID 58095055) has the molecular formula C11H10FNS and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-(4,5-dimethylthiophen-2-yl)-2-fluoropyridine.

Molecular Properties

Compound Name4-(4,5-dimethylthiophen-2-yl)-2-fluoropyridine
PubChem CID58095055
Molecular FormulaC11H10FNS
Molecular Weight207.27 g/mol
Exact Mass207.05
IUPAC Name4-(4,5-dimethylthiophen-2-yl)-2-fluoropyridine
SMILESCc1cc(-c2ccnc(F)c2)sc1C
InChIInChI=1S/C11H10FNS/c1-7-5-10(14-8(7)2)9-3-4-13-11(12)6-9/h3-6H,1-2H3
InChIKeyALRRFQINZSELLQ-UHFFFAOYSA-N
XLogP3.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 53.57
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 4-(4,5-dimethylthiophen-2-yl)-2-fluoropyridine?
The IUPAC name of 4-(4,5-dimethylthiophen-2-yl)-2-fluoropyridine (CID 58095055) is 4-(4,5-dimethylthiophen-2-yl)-2-fluoropyridine.
What is the SMILES notation for 4-(4,5-dimethylthiophen-2-yl)-2-fluoropyridine?
The canonical SMILES for 4-(4,5-dimethylthiophen-2-yl)-2-fluoropyridine is Cc1cc(-c2ccnc(F)c2)sc1C.
What is the InChIKey of 4-(4,5-dimethylthiophen-2-yl)-2-fluoropyridine?
The InChIKey is ALRRFQINZSELLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNS/c1-7-5-10(14-8(7)2)9-3-4-13-11(12)6-9/h3-6H,1-2H3.
What are the key properties of 4-(4,5-dimethylthiophen-2-yl)-2-fluoropyridine?
4-(4,5-dimethylthiophen-2-yl)-2-fluoropyridine has a molecular weight of 207.27 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylthiophen-2-yl)-2-fluoropyridine is sourced from PubChem (CID 58095055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).