7-fluoro-4-oxo-1H-quinoline-2-carbaldehyde

C10H6FNO2 — CID 91619062

IUPAC7-fluoro-4-oxo-1H-quinoline-2-carbaldehyde
SMILESO=Cc1cc(=O)c2ccc(F)cc2[nH]1
InChIInChI=1S/C10H6FNO2/c11-6-1-2-8-9(3-6)12-7(5-13)4-10(8)14/h1-5H,(H,12,14)
InChIKeyRHLLMSKHNFXOBJ-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.48
Rot. Bonds1

About 7-fluoro-4-oxo-1H-quinoline-2-carbaldehyde

7-fluoro-4-oxo-1H-quinoline-2-carbaldehyde (PubChem CID 91619062) has the molecular formula C10H6FNO2 and a molecular weight of 191.16 g/mol. Its IUPAC name is 7-fluoro-4-oxo-1H-quinoline-2-carbaldehyde.

Molecular Properties

Compound Name7-fluoro-4-oxo-1H-quinoline-2-carbaldehyde
PubChem CID91619062
Molecular FormulaC10H6FNO2
Molecular Weight191.16 g/mol
Exact Mass191.04
IUPAC Name7-fluoro-4-oxo-1H-quinoline-2-carbaldehyde
SMILESO=Cc1cc(=O)c2ccc(F)cc2[nH]1
InChIInChI=1S/C10H6FNO2/c11-6-1-2-8-9(3-6)12-7(5-13)4-10(8)14/h1-5H,(H,12,14)
InChIKeyRHLLMSKHNFXOBJ-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

2-bromo-7-fluoro-1H-quinolin-4-one
CID 133056060
7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbaldehyde
CID 84620523
3-bromo-6-fluoro-1H-indole-2-carbaldehyde
CID 115044531
2-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-1H-quinolin-4-one
CID 118588816
7-fluoro-2-(methoxymethyl)-1H-quinolin-4-one
CID 103996038
7-fluoro-2-(2-fluorophenyl)-1H-quinolin-4-one
CID 123702147
2-cyclopentyl-7-fluoro-1H-quinolin-4-one
CID 113390333
7-fluoro-9H-carbazole-3-carbaldehyde
CID 90202443
4-(2-chloroethyl)-7-fluoro-1H-quinolin-2-one
CID 14624971
6-fluoro-2-oxo-1H-quinoline-4-carbaldehyde
CID 83753028
6-fluoro-2-methyl-1H-indole-3-carboxylic acid
CID 82402312
2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-4-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-1H-quinolin-4-one
CID 159533186

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-oxo-1H-quinoline-2-carbaldehyde?
The IUPAC name of 7-fluoro-4-oxo-1H-quinoline-2-carbaldehyde (CID 91619062) is 7-fluoro-4-oxo-1H-quinoline-2-carbaldehyde.
What is the SMILES notation for 7-fluoro-4-oxo-1H-quinoline-2-carbaldehyde?
The canonical SMILES for 7-fluoro-4-oxo-1H-quinoline-2-carbaldehyde is O=Cc1cc(=O)c2ccc(F)cc2[nH]1.
What is the InChIKey of 7-fluoro-4-oxo-1H-quinoline-2-carbaldehyde?
The InChIKey is RHLLMSKHNFXOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO2/c11-6-1-2-8-9(3-6)12-7(5-13)4-10(8)14/h1-5H,(H,12,14).
What are the key properties of 7-fluoro-4-oxo-1H-quinoline-2-carbaldehyde?
7-fluoro-4-oxo-1H-quinoline-2-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 7-fluoro-4-oxo-1H-quinoline-2-carbaldehyde is sourced from PubChem (CID 91619062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).