2-fluoro-6-(furan-3-yl)-4-methylpyridine

C10H8FNO — CID 59448047

IUPAC2-fluoro-6-(furan-3-yl)-4-methylpyridine
SMILESCc1cc(F)nc(-c2ccoc2)c1
InChIInChI=1S/C10H8FNO/c1-7-4-9(12-10(11)5-7)8-2-3-13-6-8/h2-6H,1H3
InChIKeySXEVCAPDUDOQRO-UHFFFAOYSA-N
MW177.18 g/mol
LogP2.79
Rot. Bonds1

About 2-fluoro-6-(furan-3-yl)-4-methylpyridine

2-fluoro-6-(furan-3-yl)-4-methylpyridine (PubChem CID 59448047) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 2-fluoro-6-(furan-3-yl)-4-methylpyridine.

Molecular Properties

Compound Name2-fluoro-6-(furan-3-yl)-4-methylpyridine
PubChem CID59448047
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name2-fluoro-6-(furan-3-yl)-4-methylpyridine
SMILESCc1cc(F)nc(-c2ccoc2)c1
InChIInChI=1S/C10H8FNO/c1-7-4-9(12-10(11)5-7)8-2-3-13-6-8/h2-6H,1H3
InChIKeySXEVCAPDUDOQRO-UHFFFAOYSA-N
XLogP2.79
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 52.79
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-6-(furan-3-yl)-4-methylpyridine?
The IUPAC name of 2-fluoro-6-(furan-3-yl)-4-methylpyridine (CID 59448047) is 2-fluoro-6-(furan-3-yl)-4-methylpyridine.
What is the SMILES notation for 2-fluoro-6-(furan-3-yl)-4-methylpyridine?
The canonical SMILES for 2-fluoro-6-(furan-3-yl)-4-methylpyridine is Cc1cc(F)nc(-c2ccoc2)c1.
What is the InChIKey of 2-fluoro-6-(furan-3-yl)-4-methylpyridine?
The InChIKey is SXEVCAPDUDOQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c1-7-4-9(12-10(11)5-7)8-2-3-13-6-8/h2-6H,1H3.
What are the key properties of 2-fluoro-6-(furan-3-yl)-4-methylpyridine?
2-fluoro-6-(furan-3-yl)-4-methylpyridine has a molecular weight of 177.18 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(furan-3-yl)-4-methylpyridine is sourced from PubChem (CID 59448047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).