5-chloro-2-(trifluoromethyl)-1H-indole-6-carbaldehyde

C10H5ClF3NO — CID 82383639

IUPAC5-chloro-2-(trifluoromethyl)-1H-indole-6-carbaldehyde
SMILESO=Cc1cc2[nH]c(C(F)(F)F)cc2cc1Cl
InChIInChI=1S/C10H5ClF3NO/c11-7-1-5-3-9(10(12,13)14)15-8(5)2-6(7)4-16/h1-4,15H
InChIKeyJARVLMDPKXLNBY-UHFFFAOYSA-N
MW247.60 g/mol
LogP3.65
Rot. Bonds1

About 5-chloro-2-(trifluoromethyl)-1H-indole-6-carbaldehyde

5-chloro-2-(trifluoromethyl)-1H-indole-6-carbaldehyde (PubChem CID 82383639) has the molecular formula C10H5ClF3NO and a molecular weight of 247.60 g/mol. Its IUPAC name is 5-chloro-2-(trifluoromethyl)-1H-indole-6-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2-(trifluoromethyl)-1H-indole-6-carbaldehyde
PubChem CID82383639
Molecular FormulaC10H5ClF3NO
Molecular Weight247.60 g/mol
Exact Mass247.00
IUPAC Name5-chloro-2-(trifluoromethyl)-1H-indole-6-carbaldehyde
SMILESO=Cc1cc2[nH]c(C(F)(F)F)cc2cc1Cl
InChIInChI=1S/C10H5ClF3NO/c11-7-1-5-3-9(10(12,13)14)15-8(5)2-6(7)4-16/h1-4,15H
InChIKeyJARVLMDPKXLNBY-UHFFFAOYSA-N
XLogP3.65
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.60
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-methyl-1H-benzimidazole-5-carbaldehyde
CID 10081355
7-chloro-2-(trifluoromethyl)-1H-quinolin-4-one
CID 2736610
5-tert-butyl-2-(trifluoromethyl)-1H-indole
CID 84629986
1-[2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]phenyl]-N,N-dimethylmethanamine;hydrochloride
CID 118588958
5-acetyl-2-chloro-4-(trifluoromethyl)benzaldehyde
CID 171009286
6-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole
CID 118589031
(5-chloro-2-fluoro-4-formylphenyl)boronic acid
CID 171366500
2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]benzaldehyde
CID 107289689
5-bromo-6-chloro-2-(trifluoromethyl)-1H-indole;6-chloro-5-(4-methylphenyl)-2-(trifluoromethyl)-1H-indole;(4-methylphenyl)boronic acid
CID 158620834
6-chloro-7-methyl-2-(trifluoromethyl)-1H-indole
CID 84627615
5-bromo-6-chloro-2-(trifluoromethyl)-1H-indole;6-chloro-5-(3,4-dichlorophenyl)-2-(trifluoromethyl)-1H-indole;(3,4-dichlorophenyl)boronic acid
CID 158947208
5-chloro-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 134629506

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(trifluoromethyl)-1H-indole-6-carbaldehyde?
The IUPAC name of 5-chloro-2-(trifluoromethyl)-1H-indole-6-carbaldehyde (CID 82383639) is 5-chloro-2-(trifluoromethyl)-1H-indole-6-carbaldehyde.
What is the SMILES notation for 5-chloro-2-(trifluoromethyl)-1H-indole-6-carbaldehyde?
The canonical SMILES for 5-chloro-2-(trifluoromethyl)-1H-indole-6-carbaldehyde is O=Cc1cc2[nH]c(C(F)(F)F)cc2cc1Cl.
What is the InChIKey of 5-chloro-2-(trifluoromethyl)-1H-indole-6-carbaldehyde?
The InChIKey is JARVLMDPKXLNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3NO/c11-7-1-5-3-9(10(12,13)14)15-8(5)2-6(7)4-16/h1-4,15H.
What are the key properties of 5-chloro-2-(trifluoromethyl)-1H-indole-6-carbaldehyde?
5-chloro-2-(trifluoromethyl)-1H-indole-6-carbaldehyde has a molecular weight of 247.60 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(trifluoromethyl)-1H-indole-6-carbaldehyde is sourced from PubChem (CID 82383639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).