5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylic acid

C11H10FNO2 — CID 135331411

IUPAC5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylic acid
SMILESC=C1CCC(F)(C(=O)O)c2cccnc21
InChIInChI=1S/C11H10FNO2/c1-7-4-5-11(12,10(14)15)8-3-2-6-13-9(7)8/h2-3,6H,1,4-5H2,(H,14,15)
InChIKeyHRLMGXLKRRFMON-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.14
Rot. Bonds1

About 5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylic acid

5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylic acid (PubChem CID 135331411) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylic acid
PubChem CID135331411
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylic acid
SMILESC=C1CCC(F)(C(=O)O)c2cccnc21
InChIInChI=1S/C11H10FNO2/c1-7-4-5-11(12,10(14)15)8-3-2-6-13-9(7)8/h2-3,6H,1,4-5H2,(H,14,15)
InChIKeyHRLMGXLKRRFMON-UHFFFAOYSA-N
XLogP2.14
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Pyridineacetic acid
CID 108
4-Quinolinecarboxylic acid
CID 10243
3-Pyridinebutanoic acid
CID 114
3-(Pyridin-2-yl)propanoic acid
CID 564292
2-(5-Fluoro-3-methylpyridin-2-yl)acetic acid
CID 60164443
CID 12904539
CID 12904539
8-Phenyl-8-pyridin-3-yl-oct-7-enoic acid
CID 13417259
(E)-8-phenyl-8-pyridin-3-yloct-7-enoic acid
CID 13417260
12-Phenyl-12-pyridin-3-yl-dodec-11-enoic acid
CID 13417266
(E)-12-phenyl-12-pyridin-3-yldodec-11-enoic acid
CID 13417267
2-[4-[(3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]phenyl]acetic acid
CID 136166866
Quinoline-5-carboxylic acid
CID 232489

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylic acid?
The IUPAC name of 5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylic acid (CID 135331411) is 5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylic acid.
What is the SMILES notation for 5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylic acid?
The canonical SMILES for 5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylic acid is C=C1CCC(F)(C(=O)O)c2cccnc21.
What is the InChIKey of 5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylic acid?
The InChIKey is HRLMGXLKRRFMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-7-4-5-11(12,10(14)15)8-3-2-6-13-9(7)8/h2-3,6H,1,4-5H2,(H,14,15).
What are the key properties of 5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylic acid?
5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylic acid has a molecular weight of 207.20 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylic acid is sourced from PubChem (CID 135331411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).