5-fluoro-6,7-dimethylquinoline

C11H10FN — CID 143662971

IUPAC5-fluoro-6,7-dimethylquinoline
SMILESCc1cc2ncccc2c(F)c1C
InChIInChI=1S/C11H10FN/c1-7-6-10-9(4-3-5-13-10)11(12)8(7)2/h3-6H,1-2H3
InChIKeyKBOYUWJXVWQDJQ-UHFFFAOYSA-N
MW175.21 g/mol
LogP2.99
Rot. Bonds

About 5-fluoro-6,7-dimethylquinoline

5-fluoro-6,7-dimethylquinoline (PubChem CID 143662971) has the molecular formula C11H10FN and a molecular weight of 175.21 g/mol. Its IUPAC name is 5-fluoro-6,7-dimethylquinoline.

Molecular Properties

Compound Name5-fluoro-6,7-dimethylquinoline
PubChem CID143662971
Molecular FormulaC11H10FN
Molecular Weight175.21 g/mol
Exact Mass175.08
IUPAC Name5-fluoro-6,7-dimethylquinoline
SMILESCc1cc2ncccc2c(F)c1C
InChIInChI=1S/C11H10FN/c1-7-6-10-9(4-3-5-13-10)11(12)8(7)2/h3-6H,1-2H3
InChIKeyKBOYUWJXVWQDJQ-UHFFFAOYSA-N
XLogP2.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6,7-dimethylquinoline?
The IUPAC name of 5-fluoro-6,7-dimethylquinoline (CID 143662971) is 5-fluoro-6,7-dimethylquinoline.
What is the SMILES notation for 5-fluoro-6,7-dimethylquinoline?
The canonical SMILES for 5-fluoro-6,7-dimethylquinoline is Cc1cc2ncccc2c(F)c1C.
What is the InChIKey of 5-fluoro-6,7-dimethylquinoline?
The InChIKey is KBOYUWJXVWQDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN/c1-7-6-10-9(4-3-5-13-10)11(12)8(7)2/h3-6H,1-2H3.
What are the key properties of 5-fluoro-6,7-dimethylquinoline?
5-fluoro-6,7-dimethylquinoline has a molecular weight of 175.21 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6,7-dimethylquinoline is sourced from PubChem (CID 143662971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).