2-fluoro-4-methylquinoline

C10H8FN — CID 639441

IUPAC2-fluoro-4-methylquinoline
SMILESCc1cc(F)nc2ccccc12
InChIInChI=1S/C10H8FN/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3
InChIKeyIFRMRTJBELSCHL-UHFFFAOYSA-N
MW161.18 g/mol
LogP2.68
Rot. Bonds

About 2-fluoro-4-methylquinoline

2-fluoro-4-methylquinoline (PubChem CID 639441) has the molecular formula C10H8FN and a molecular weight of 161.18 g/mol. Its IUPAC name is 2-fluoro-4-methylquinoline.

Molecular Properties

Compound Name2-fluoro-4-methylquinoline
PubChem CID639441
Molecular FormulaC10H8FN
Molecular Weight161.18 g/mol
Exact Mass161.06
IUPAC Name2-fluoro-4-methylquinoline
SMILESCc1cc(F)nc2ccccc12
InChIInChI=1S/C10H8FN/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3
InChIKeyIFRMRTJBELSCHL-UHFFFAOYSA-N
XLogP2.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-4-methylquinoline?
The IUPAC name of 2-fluoro-4-methylquinoline (CID 639441) is 2-fluoro-4-methylquinoline.
What is the SMILES notation for 2-fluoro-4-methylquinoline?
The canonical SMILES for 2-fluoro-4-methylquinoline is Cc1cc(F)nc2ccccc12.
What is the InChIKey of 2-fluoro-4-methylquinoline?
The InChIKey is IFRMRTJBELSCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3.
What are the key properties of 2-fluoro-4-methylquinoline?
2-fluoro-4-methylquinoline has a molecular weight of 161.18 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methylquinoline is sourced from PubChem (CID 639441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).