6-fluoro-5-methylquinoline-2-carboxylic acid

C11H8FNO2 — CID 97036802

IUPAC6-fluoro-5-methylquinoline-2-carboxylic acid
SMILESCc1c(F)ccc2nc(C(=O)O)ccc12
InChIInChI=1S/C11H8FNO2/c1-6-7-2-4-10(11(14)15)13-9(7)5-3-8(6)12/h2-5H,1H3,(H,14,15)
InChIKeyPASSNWPMCAWKIK-UHFFFAOYSA-N
MW205.19 g/mol
LogP2.38
Rot. Bonds1

About 6-fluoro-5-methylquinoline-2-carboxylic acid

6-fluoro-5-methylquinoline-2-carboxylic acid (PubChem CID 97036802) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is 6-fluoro-5-methylquinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-5-methylquinoline-2-carboxylic acid
PubChem CID97036802
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Name6-fluoro-5-methylquinoline-2-carboxylic acid
SMILESCc1c(F)ccc2nc(C(=O)O)ccc12
InChIInChI=1S/C11H8FNO2/c1-6-7-2-4-10(11(14)15)13-9(7)5-3-8(6)12/h2-5H,1H3,(H,14,15)
InChIKeyPASSNWPMCAWKIK-UHFFFAOYSA-N
XLogP2.38
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cinchophen
CID 8593
Brequinar
CID 57030
Quinaldic Acid
CID 7124
Tetrophan
CID 120171
Isoquinoline-3-carboxylic acid
CID 124656
2,3-Quinolinedicarboxylic acid
CID 69508
Mefloquine carboxylic acid
CID 169721
Brequinar Analog
CID 1543
3-Methyl-2-phenylquinoline-4-carboxylic acid
CID 673710
6-Methyl-2-phenylquinoline-4-carboxylic acid
CID 698707
2-Methyl-3-quinolinecarboxylic acid
CID 1481999
2-([1,1'-Biphenyl]-4-yl)quinoline-4-carboxylic Acid
CID 2063288

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methylquinoline-2-carboxylic acid?
The IUPAC name of 6-fluoro-5-methylquinoline-2-carboxylic acid (CID 97036802) is 6-fluoro-5-methylquinoline-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-5-methylquinoline-2-carboxylic acid?
The canonical SMILES for 6-fluoro-5-methylquinoline-2-carboxylic acid is Cc1c(F)ccc2nc(C(=O)O)ccc12.
What is the InChIKey of 6-fluoro-5-methylquinoline-2-carboxylic acid?
The InChIKey is PASSNWPMCAWKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2/c1-6-7-2-4-10(11(14)15)13-9(7)5-3-8(6)12/h2-5H,1H3,(H,14,15).
What are the key properties of 6-fluoro-5-methylquinoline-2-carboxylic acid?
6-fluoro-5-methylquinoline-2-carboxylic acid has a molecular weight of 205.19 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methylquinoline-2-carboxylic acid is sourced from PubChem (CID 97036802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).