4-chloro-5-fluoroquinoline-3-carbaldehyde

C10H5ClFNO — CID 131448573

IUPAC4-chloro-5-fluoroquinoline-3-carbaldehyde
SMILESO=Cc1cnc2cccc(F)c2c1Cl
InChIInChI=1S/C10H5ClFNO/c11-10-6(5-14)4-13-8-3-1-2-7(12)9(8)10/h1-5H
InChIKeyPVBKMMXEFFTFQW-UHFFFAOYSA-N
MW209.61 g/mol
LogP2.84
Rot. Bonds1

About 4-chloro-5-fluoroquinoline-3-carbaldehyde

4-chloro-5-fluoroquinoline-3-carbaldehyde (PubChem CID 131448573) has the molecular formula C10H5ClFNO and a molecular weight of 209.61 g/mol. Its IUPAC name is 4-chloro-5-fluoroquinoline-3-carbaldehyde.

Molecular Properties

Compound Name4-chloro-5-fluoroquinoline-3-carbaldehyde
PubChem CID131448573
Molecular FormulaC10H5ClFNO
Molecular Weight209.61 g/mol
Exact Mass209.00
IUPAC Name4-chloro-5-fluoroquinoline-3-carbaldehyde
SMILESO=Cc1cnc2cccc(F)c2c1Cl
InChIInChI=1S/C10H5ClFNO/c11-10-6(5-14)4-13-8-3-1-2-7(12)9(8)10/h1-5H
InChIKeyPVBKMMXEFFTFQW-UHFFFAOYSA-N
XLogP2.84
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.61
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(2,3-difluorophenyl)pyridine-3-carbaldehyde
CID 133093654
2-chloro-3-fluoroterephthalaldehyde
CID 87294341
2-chloro-3-(2,3-difluorophenyl)pyridine-4-carbaldehyde
CID 133093653
9-fluoro-2-(2-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 10017510
4-chloro-3-fluoroquinoline
CID 22284824
2-(3-chloro-2-fluorophenyl)-5-fluoropyridine-4-carbaldehyde
CID 172868911
3-fluoro-2-prop-2-enoxybenzaldehyde
CID 112611625
4-chloro-6-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 118822221
2-chloro-5-fluoroquinazolin-4-amine
CID 34181642
1,4-dichloro-5-fluoroisoquinoline
CID 84681499
(4-chloro-5-fluoro-2-methylquinolin-3-yl)methanol
CID 58125399
2-chloro-3-(5-fluoro-1H-pyrazol-4-yl)benzaldehyde
CID 163283497

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoroquinoline-3-carbaldehyde?
The IUPAC name of 4-chloro-5-fluoroquinoline-3-carbaldehyde (CID 131448573) is 4-chloro-5-fluoroquinoline-3-carbaldehyde.
What is the SMILES notation for 4-chloro-5-fluoroquinoline-3-carbaldehyde?
The canonical SMILES for 4-chloro-5-fluoroquinoline-3-carbaldehyde is O=Cc1cnc2cccc(F)c2c1Cl.
What is the InChIKey of 4-chloro-5-fluoroquinoline-3-carbaldehyde?
The InChIKey is PVBKMMXEFFTFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFNO/c11-10-6(5-14)4-13-8-3-1-2-7(12)9(8)10/h1-5H.
What are the key properties of 4-chloro-5-fluoroquinoline-3-carbaldehyde?
4-chloro-5-fluoroquinoline-3-carbaldehyde has a molecular weight of 209.61 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoroquinoline-3-carbaldehyde is sourced from PubChem (CID 131448573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).