7-chloro-6-(trifluoromethyl)quinoline-3-carbaldehyde

C11H5ClF3NO — CID 122503518

IUPAC7-chloro-6-(trifluoromethyl)quinoline-3-carbaldehyde
SMILESO=Cc1cnc2cc(Cl)c(C(F)(F)F)cc2c1
InChIInChI=1S/C11H5ClF3NO/c12-9-3-10-7(1-6(5-17)4-16-10)2-8(9)11(13,14)15/h1-5H
InChIKeyCHHPIDHGIPWXGF-UHFFFAOYSA-N
MW259.61 g/mol
LogP3.72
Rot. Bonds1

About 7-chloro-6-(trifluoromethyl)quinoline-3-carbaldehyde

7-chloro-6-(trifluoromethyl)quinoline-3-carbaldehyde (PubChem CID 122503518) has the molecular formula C11H5ClF3NO and a molecular weight of 259.61 g/mol. Its IUPAC name is 7-chloro-6-(trifluoromethyl)quinoline-3-carbaldehyde.

Molecular Properties

Compound Name7-chloro-6-(trifluoromethyl)quinoline-3-carbaldehyde
PubChem CID122503518
Molecular FormulaC11H5ClF3NO
Molecular Weight259.61 g/mol
Exact Mass259.00
IUPAC Name7-chloro-6-(trifluoromethyl)quinoline-3-carbaldehyde
SMILESO=Cc1cnc2cc(Cl)c(C(F)(F)F)cc2c1
InChIInChI=1S/C11H5ClF3NO/c12-9-3-10-7(1-6(5-17)4-16-10)2-8(9)11(13,14)15/h1-5H
InChIKeyCHHPIDHGIPWXGF-UHFFFAOYSA-N
XLogP3.72
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.61
LogP ≤ 53.72
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

3,7-dichloro-6-(trichloromethyl)quinoline
CID 70464170
methoxymethane;6-methyl-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 142549771
5,6-dichloropyridine-3-carbaldehyde
CID 11535654
6,8-dichloroquinoline-3-carbaldehyde
CID 131507049
5-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 58001739
2-bromo-5-chloro-6-(trifluoromethyl)-1H-benzimidazole
CID 130053401
4-chloro-N-(5-formyl-2-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 90105320
2-amino-5-chloro-4-(trifluoromethyl)benzaldehyde
CID 119009707
2,5-dichloro-4-(trifluoromethyl)pyridine
CID 26986016
ethyl 4,6-dichloro-7-(trifluoromethyl)quinoline-3-carboxylate
CID 66487307
6-(2,2-difluoro-2-phosphanylethoxy)-5-fluoropyridine-3-carbaldehyde
CID 138702850
8-(trifluoromethyl)quinoline-6-carbaldehyde
CID 87213949

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(trifluoromethyl)quinoline-3-carbaldehyde?
The IUPAC name of 7-chloro-6-(trifluoromethyl)quinoline-3-carbaldehyde (CID 122503518) is 7-chloro-6-(trifluoromethyl)quinoline-3-carbaldehyde.
What is the SMILES notation for 7-chloro-6-(trifluoromethyl)quinoline-3-carbaldehyde?
The canonical SMILES for 7-chloro-6-(trifluoromethyl)quinoline-3-carbaldehyde is O=Cc1cnc2cc(Cl)c(C(F)(F)F)cc2c1.
What is the InChIKey of 7-chloro-6-(trifluoromethyl)quinoline-3-carbaldehyde?
The InChIKey is CHHPIDHGIPWXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3NO/c12-9-3-10-7(1-6(5-17)4-16-10)2-8(9)11(13,14)15/h1-5H.
What are the key properties of 7-chloro-6-(trifluoromethyl)quinoline-3-carbaldehyde?
7-chloro-6-(trifluoromethyl)quinoline-3-carbaldehyde has a molecular weight of 259.61 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(trifluoromethyl)quinoline-3-carbaldehyde is sourced from PubChem (CID 122503518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).