6-fluoro-8-nitro-1,2,3,4-tetrahydroquinoline-4-carbaldehyde

C10H9FN2O3 — CID 174449925

IUPAC6-fluoro-8-nitro-1,2,3,4-tetrahydroquinoline-4-carbaldehyde
SMILESO=CC1CCNc2c1cc(F)cc2[N+](=O)[O-]
InChIInChI=1S/C10H9FN2O3/c11-7-3-8-6(5-14)1-2-12-10(8)9(4-7)13(15)16/h3-6,12H,1-2H2
InChIKeyIHOFWMFVOQEOCB-UHFFFAOYSA-N
MW224.19 g/mol
LogP1.83
Rot. Bonds2

About 6-fluoro-8-nitro-1,2,3,4-tetrahydroquinoline-4-carbaldehyde

6-fluoro-8-nitro-1,2,3,4-tetrahydroquinoline-4-carbaldehyde (PubChem CID 174449925) has the molecular formula C10H9FN2O3 and a molecular weight of 224.19 g/mol. Its IUPAC name is 6-fluoro-8-nitro-1,2,3,4-tetrahydroquinoline-4-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-8-nitro-1,2,3,4-tetrahydroquinoline-4-carbaldehyde
PubChem CID174449925
Molecular FormulaC10H9FN2O3
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC Name6-fluoro-8-nitro-1,2,3,4-tetrahydroquinoline-4-carbaldehyde
SMILESO=CC1CCNc2c1cc(F)cc2[N+](=O)[O-]
InChIInChI=1S/C10H9FN2O3/c11-7-3-8-6(5-14)1-2-12-10(8)9(4-7)13(15)16/h3-6,12H,1-2H2
InChIKeyIHOFWMFVOQEOCB-UHFFFAOYSA-N
XLogP1.83
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-7-nitro-2,3-dihydro-1H-indole
CID 138106117
5-fluoro-3-hydroxy-7-nitro-1,3-dihydroindol-2-one
CID 61361234
(2R)-6-fluoro-2-methyl-8-nitro-1,2,3,4-tetrahydroquinoline
CID 92982227
6-fluoro-8-nitro-3,4-dihydro-1H-quinolin-2-one
CID 51138330
(4S)-4-(5-fluoro-2-nitrophenyl)imidazolidin-2-one
CID 171252708
(2R)-2-(5-fluoro-2-nitrophenyl)pyrrolidine;hydrochloride
CID 171195941
(2S)-2-(4-fluoro-2-nitrophenyl)piperidine
CID 131395482
N-(2,4-difluoro-6-nitrophenyl)azetidin-3-amine
CID 81309875
2-(4-fluoro-2-nitrophenyl)azepane
CID 113417343
N-(cycloheptylmethyl)-2,4-difluoro-6-nitroaniline
CID 81311125
(2R)-2-(4-fluoro-2-nitrophenyl)piperidine;hydrochloride
CID 171195482
1-(4-fluoro-2-nitrophenyl)piperidine-4-carbaldehyde
CID 62662917

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-nitro-1,2,3,4-tetrahydroquinoline-4-carbaldehyde?
The IUPAC name of 6-fluoro-8-nitro-1,2,3,4-tetrahydroquinoline-4-carbaldehyde (CID 174449925) is 6-fluoro-8-nitro-1,2,3,4-tetrahydroquinoline-4-carbaldehyde.
What is the SMILES notation for 6-fluoro-8-nitro-1,2,3,4-tetrahydroquinoline-4-carbaldehyde?
The canonical SMILES for 6-fluoro-8-nitro-1,2,3,4-tetrahydroquinoline-4-carbaldehyde is O=CC1CCNc2c1cc(F)cc2[N+](=O)[O-].
What is the InChIKey of 6-fluoro-8-nitro-1,2,3,4-tetrahydroquinoline-4-carbaldehyde?
The InChIKey is IHOFWMFVOQEOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3/c11-7-3-8-6(5-14)1-2-12-10(8)9(4-7)13(15)16/h3-6,12H,1-2H2.
What are the key properties of 6-fluoro-8-nitro-1,2,3,4-tetrahydroquinoline-4-carbaldehyde?
6-fluoro-8-nitro-1,2,3,4-tetrahydroquinoline-4-carbaldehyde has a molecular weight of 224.19 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-nitro-1,2,3,4-tetrahydroquinoline-4-carbaldehyde is sourced from PubChem (CID 174449925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).