3-(6-fluoroquinolin-2-yl)propanoic acid

C12H10FNO2 — CID 82242044

IUPAC3-(6-fluoroquinolin-2-yl)propanoic acid
SMILESO=C(O)CCc1ccc2cc(F)ccc2n1
InChIInChI=1S/C12H10FNO2/c13-9-2-5-11-8(7-9)1-3-10(14-11)4-6-12(15)16/h1-3,5,7H,4,6H2,(H,15,16)
InChIKeyMUAAPOUZBOSMPI-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.39
Rot. Bonds3

About 3-(6-fluoroquinolin-2-yl)propanoic acid

3-(6-fluoroquinolin-2-yl)propanoic acid (PubChem CID 82242044) has the molecular formula C12H10FNO2 and a molecular weight of 219.22 g/mol. Its IUPAC name is 3-(6-fluoroquinolin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-fluoroquinolin-2-yl)propanoic acid
PubChem CID82242044
Molecular FormulaC12H10FNO2
Molecular Weight219.22 g/mol
Exact Mass219.07
IUPAC Name3-(6-fluoroquinolin-2-yl)propanoic acid
SMILESO=C(O)CCc1ccc2cc(F)ccc2n1
InChIInChI=1S/C12H10FNO2/c13-9-2-5-11-8(7-9)1-3-10(14-11)4-6-12(15)16/h1-3,5,7H,4,6H2,(H,15,16)
InChIKeyMUAAPOUZBOSMPI-UHFFFAOYSA-N
XLogP2.39
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-fluoroquinolin-2-yl)-N-methylpropanamide
CID 110465204
3-(6-fluoroquinolin-2-yl)-N-(2-methylpropyl)propanamide
CID 110465216
3-(6-fluoroquinolin-2-yl)-2-hydroxy-1-phenylpropan-1-one
CID 132915457
ethane;2-ethyl-6-fluoroquinoline
CID 142538501
2-[[2-(6-fluoroquinolin-2-yl)acetyl]amino]propanoic acid
CID 110490402
2-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]acetic acid
CID 82166158
2-(6-fluoroquinolin-2-yl)-1-piperidin-1-ylethanone
CID 110490426
3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid
CID 22717208
1-(7-fluoroquinolin-2-yl)propan-2-one
CID 82241337
3-(7-fluoroisoquinolin-1-yl)propanoic acid
CID 82577889
2-(6-fluoroquinolin-2-yl)-N-(2-hydroxypropyl)acetamide
CID 110490409
N-butan-2-yl-3-(7-fluoroquinolin-2-yl)propanamide
CID 110486620

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoroquinolin-2-yl)propanoic acid?
The IUPAC name of 3-(6-fluoroquinolin-2-yl)propanoic acid (CID 82242044) is 3-(6-fluoroquinolin-2-yl)propanoic acid.
What is the SMILES notation for 3-(6-fluoroquinolin-2-yl)propanoic acid?
The canonical SMILES for 3-(6-fluoroquinolin-2-yl)propanoic acid is O=C(O)CCc1ccc2cc(F)ccc2n1.
What is the InChIKey of 3-(6-fluoroquinolin-2-yl)propanoic acid?
The InChIKey is MUAAPOUZBOSMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c13-9-2-5-11-8(7-9)1-3-10(14-11)4-6-12(15)16/h1-3,5,7H,4,6H2,(H,15,16).
What are the key properties of 3-(6-fluoroquinolin-2-yl)propanoic acid?
3-(6-fluoroquinolin-2-yl)propanoic acid has a molecular weight of 219.22 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoroquinolin-2-yl)propanoic acid is sourced from PubChem (CID 82242044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).