7-fluoroquinoline-4-carboxylic acid

C10H6FNO2 — CID 18475507

IUPAC7-fluoroquinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2cc(F)ccc12
InChIInChI=1S/C10H6FNO2/c11-6-1-2-7-8(10(13)14)3-4-12-9(7)5-6/h1-5H,(H,13,14)
InChIKeyQIRLJMJLJXBUMP-UHFFFAOYSA-N
MW191.16 g/mol
LogP2.07
Rot. Bonds1

About 7-fluoroquinoline-4-carboxylic acid

7-fluoroquinoline-4-carboxylic acid (PubChem CID 18475507) has the molecular formula C10H6FNO2 and a molecular weight of 191.16 g/mol. Its IUPAC name is 7-fluoroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-fluoroquinoline-4-carboxylic acid
PubChem CID18475507
Molecular FormulaC10H6FNO2
Molecular Weight191.16 g/mol
Exact Mass191.04
IUPAC Name7-fluoroquinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2cc(F)ccc12
InChIInChI=1S/C10H6FNO2/c11-6-1-2-7-8(10(13)14)3-4-12-9(7)5-6/h1-5H,(H,13,14)
InChIKeyQIRLJMJLJXBUMP-UHFFFAOYSA-N
XLogP2.07
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-7-fluoroquinoline-4-carboxylic acid
CID 82184189
7-fluoroquinoline-4-carboximidamide
CID 83677826
4-[(7-fluoroquinolin-4-yl)amino]benzoic acid
CID 54773030
2-(aminomethyl)-7-fluoroquinoline-4-carboxylic acid
CID 84623450
2-(7-fluoroquinolin-4-yl)sulfanylacetic acid
CID 54773018
2-[(7-fluoroquinolin-4-yl)amino]acetic acid
CID 83837512
7-fluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid
CID 64988226
7-(1-methoxyethyl)quinoline-4-carboxylic acid
CID 170539827
7-cyclohexylquinoline-4-carboxylic acid
CID 138508053
7-fluoro-4-iodoquinoline
CID 118066569
6-chloro-7-hydroxyquinoline-4-carboxylic acid
CID 165460215
ethane;7-fluoro-4-methylquinoline
CID 142037193

Frequently Asked Questions

What is the IUPAC name of 7-fluoroquinoline-4-carboxylic acid?
The IUPAC name of 7-fluoroquinoline-4-carboxylic acid (CID 18475507) is 7-fluoroquinoline-4-carboxylic acid.
What is the SMILES notation for 7-fluoroquinoline-4-carboxylic acid?
The canonical SMILES for 7-fluoroquinoline-4-carboxylic acid is O=C(O)c1ccnc2cc(F)ccc12.
What is the InChIKey of 7-fluoroquinoline-4-carboxylic acid?
The InChIKey is QIRLJMJLJXBUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO2/c11-6-1-2-7-8(10(13)14)3-4-12-9(7)5-6/h1-5H,(H,13,14).
What are the key properties of 7-fluoroquinoline-4-carboxylic acid?
7-fluoroquinoline-4-carboxylic acid has a molecular weight of 191.16 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoroquinoline-4-carboxylic acid is sourced from PubChem (CID 18475507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).