2-(2-fluoroquinolin-3-yl)prop-2-enoic acid

C12H8FNO2 — CID 175073828

IUPAC2-(2-fluoroquinolin-3-yl)prop-2-enoic acid
SMILESC=C(C(=O)O)c1cc2ccccc2nc1F
InChIInChI=1S/C12H8FNO2/c1-7(12(15)16)9-6-8-4-2-3-5-10(8)14-11(9)13/h2-6H,1H2,(H,15,16)
InChIKeyNIYYDMXBNHVCFH-UHFFFAOYSA-N
MW217.20 g/mol
LogP2.47
Rot. Bonds2

About 2-(2-fluoroquinolin-3-yl)prop-2-enoic acid

2-(2-fluoroquinolin-3-yl)prop-2-enoic acid (PubChem CID 175073828) has the molecular formula C12H8FNO2 and a molecular weight of 217.20 g/mol. Its IUPAC name is 2-(2-fluoroquinolin-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(2-fluoroquinolin-3-yl)prop-2-enoic acid
PubChem CID175073828
Molecular FormulaC12H8FNO2
Molecular Weight217.20 g/mol
Exact Mass217.05
IUPAC Name2-(2-fluoroquinolin-3-yl)prop-2-enoic acid
SMILESC=C(C(=O)O)c1cc2ccccc2nc1F
InChIInChI=1S/C12H8FNO2/c1-7(12(15)16)9-6-8-4-2-3-5-10(8)14-11(9)13/h2-6H,1H2,(H,15,16)
InChIKeyNIYYDMXBNHVCFH-UHFFFAOYSA-N
XLogP2.47
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-ethenylquinoline-3-carboxylic acid
CID 70491701
2-fluoroquinoline-3-carbaldehyde
CID 15357643
(E)-2-[2-[(E)-1,2-dicarboxyethenyl]quinolin-3-yl]but-2-enedioic acid
CID 150385292
formic acid;quinoline-2,3-dicarboxylic acid
CID 174725095
2-phenylquinoline-3-carboxamide
CID 22159420
2-piperazin-1-ylquinoline-3-carboxylic acid
CID 19763543
2-(2-bromoethyl)quinoline-3-carboxylic acid
CID 175581209
acridine
CID 21226281
acridine-4-carboxamide
CID 3025721
(2-fluoroquinolin-3-yl)-dimethyl-phenylsilane
CID 102253386
acridine;2,2-diphenylacetic acid
CID 139120811
4-acridin-1-yl-2-methylidenebut-3-enoic acid
CID 159188552

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroquinolin-3-yl)prop-2-enoic acid?
The IUPAC name of 2-(2-fluoroquinolin-3-yl)prop-2-enoic acid (CID 175073828) is 2-(2-fluoroquinolin-3-yl)prop-2-enoic acid.
What is the SMILES notation for 2-(2-fluoroquinolin-3-yl)prop-2-enoic acid?
The canonical SMILES for 2-(2-fluoroquinolin-3-yl)prop-2-enoic acid is C=C(C(=O)O)c1cc2ccccc2nc1F.
What is the InChIKey of 2-(2-fluoroquinolin-3-yl)prop-2-enoic acid?
The InChIKey is NIYYDMXBNHVCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO2/c1-7(12(15)16)9-6-8-4-2-3-5-10(8)14-11(9)13/h2-6H,1H2,(H,15,16).
What are the key properties of 2-(2-fluoroquinolin-3-yl)prop-2-enoic acid?
2-(2-fluoroquinolin-3-yl)prop-2-enoic acid has a molecular weight of 217.20 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroquinolin-3-yl)prop-2-enoic acid is sourced from PubChem (CID 175073828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).