2,4-dichloro-8-fluoro-5-methylquinoline

C10H6Cl2FN — CID 121399116

IUPAC2,4-dichloro-8-fluoro-5-methylquinoline
SMILESCc1ccc(F)c2nc(Cl)cc(Cl)c12
InChIInChI=1S/C10H6Cl2FN/c1-5-2-3-7(13)10-9(5)6(11)4-8(12)14-10/h2-4H,1H3
InChIKeyOCRVXNRKESPGQF-UHFFFAOYSA-N
MW230.07 g/mol
LogP3.99
Rot. Bonds

About 2,4-dichloro-8-fluoro-5-methylquinoline

2,4-dichloro-8-fluoro-5-methylquinoline (PubChem CID 121399116) has the molecular formula C10H6Cl2FN and a molecular weight of 230.07 g/mol. Its IUPAC name is 2,4-dichloro-8-fluoro-5-methylquinoline.

Molecular Properties

Compound Name2,4-dichloro-8-fluoro-5-methylquinoline
PubChem CID121399116
Molecular FormulaC10H6Cl2FN
Molecular Weight230.07 g/mol
Exact Mass228.99
IUPAC Name2,4-dichloro-8-fluoro-5-methylquinoline
SMILESCc1ccc(F)c2nc(Cl)cc(Cl)c12
InChIInChI=1S/C10H6Cl2FN/c1-5-2-3-7(13)10-9(5)6(11)4-8(12)14-10/h2-4H,1H3
InChIKeyOCRVXNRKESPGQF-UHFFFAOYSA-N
XLogP3.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.07
LogP ≤ 53.99
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 2,4-dichloro-8-fluoro-5-methylquinoline?
The IUPAC name of 2,4-dichloro-8-fluoro-5-methylquinoline (CID 121399116) is 2,4-dichloro-8-fluoro-5-methylquinoline.
What is the SMILES notation for 2,4-dichloro-8-fluoro-5-methylquinoline?
The canonical SMILES for 2,4-dichloro-8-fluoro-5-methylquinoline is Cc1ccc(F)c2nc(Cl)cc(Cl)c12.
What is the InChIKey of 2,4-dichloro-8-fluoro-5-methylquinoline?
The InChIKey is OCRVXNRKESPGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FN/c1-5-2-3-7(13)10-9(5)6(11)4-8(12)14-10/h2-4H,1H3.
What are the key properties of 2,4-dichloro-8-fluoro-5-methylquinoline?
2,4-dichloro-8-fluoro-5-methylquinoline has a molecular weight of 230.07 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-8-fluoro-5-methylquinoline is sourced from PubChem (CID 121399116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).