5-fluoro-2-oxo-1H-quinoline-3-carbaldehyde

C10H6FNO2 — CID 141308014

IUPAC5-fluoro-2-oxo-1H-quinoline-3-carbaldehyde
SMILESO=Cc1cc2c(F)cccc2[nH]c1=O
InChIInChI=1S/C10H6FNO2/c11-8-2-1-3-9-7(8)4-6(5-13)10(14)12-9/h1-5H,(H,12,14)
InChIKeyNQAOECRJEFWFNP-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.48
Rot. Bonds1

About 5-fluoro-2-oxo-1H-quinoline-3-carbaldehyde

5-fluoro-2-oxo-1H-quinoline-3-carbaldehyde (PubChem CID 141308014) has the molecular formula C10H6FNO2 and a molecular weight of 191.16 g/mol. Its IUPAC name is 5-fluoro-2-oxo-1H-quinoline-3-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-2-oxo-1H-quinoline-3-carbaldehyde
PubChem CID141308014
Molecular FormulaC10H6FNO2
Molecular Weight191.16 g/mol
Exact Mass191.04
IUPAC Name5-fluoro-2-oxo-1H-quinoline-3-carbaldehyde
SMILESO=Cc1cc2c(F)cccc2[nH]c1=O
InChIInChI=1S/C10H6FNO2/c11-8-2-1-3-9-7(8)4-6(5-13)10(14)12-9/h1-5H,(H,12,14)
InChIKeyNQAOECRJEFWFNP-UHFFFAOYSA-N
XLogP1.48
TPSA49.93 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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethane;4-fluoro-2-methyl-1H-indole
CID 171088115
1-(4-fluoro-1H-indol-2-yl)prop-2-en-1-amine
CID 130000362
6-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
CID 118842995
7-bromo-2-oxo-1H-quinoline-3-carbaldehyde
CID 22690268
6-(4-fluoro-1H-indol-2-yl)-4-methyl-1H-pyridin-2-one
CID 144764054
(4-fluoro-1H-indol-2-yl)methanimine
CID 144681503
4-fluoro-N-methyl-1H-indol-2-amine
CID 143863709
2-amino-1-(4-fluoro-1H-indol-2-yl)ethanone
CID 82402932
5-(2,6-difluorophenyl)-2-hydroxybenzaldehyde
CID 53220383
6-fluoro-2-oxo-1H-quinoline-4-carbaldehyde
CID 83753028
9H-carbazole-1-carbaldehyde
CID 11745551
3-[(2-amino-5-methylanilino)methyl]-5-fluoro-1H-quinolin-2-one
CID 143059341

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-oxo-1H-quinoline-3-carbaldehyde?
The IUPAC name of 5-fluoro-2-oxo-1H-quinoline-3-carbaldehyde (CID 141308014) is 5-fluoro-2-oxo-1H-quinoline-3-carbaldehyde.
What is the SMILES notation for 5-fluoro-2-oxo-1H-quinoline-3-carbaldehyde?
The canonical SMILES for 5-fluoro-2-oxo-1H-quinoline-3-carbaldehyde is O=Cc1cc2c(F)cccc2[nH]c1=O.
What is the InChIKey of 5-fluoro-2-oxo-1H-quinoline-3-carbaldehyde?
The InChIKey is NQAOECRJEFWFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO2/c11-8-2-1-3-9-7(8)4-6(5-13)10(14)12-9/h1-5H,(H,12,14).
What are the key properties of 5-fluoro-2-oxo-1H-quinoline-3-carbaldehyde?
5-fluoro-2-oxo-1H-quinoline-3-carbaldehyde has a molecular weight of 191.16 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-oxo-1H-quinoline-3-carbaldehyde is sourced from PubChem (CID 141308014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).