2-chloro-7-(trifluoromethyl)-1H-indole-3-carbaldehyde

C10H5ClF3NO — CID 3715017

IUPAC2-chloro-7-(trifluoromethyl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(Cl)[nH]c2c(C(F)(F)F)cccc12
InChIInChI=1S/C10H5ClF3NO/c11-9-6(4-16)5-2-1-3-7(8(5)15-9)10(12,13)14/h1-4,15H
InChIKeyCUMHCIVLERGXKG-UHFFFAOYSA-N
MW247.60 g/mol
LogP3.65
Rot. Bonds1

About 2-chloro-7-(trifluoromethyl)-1H-indole-3-carbaldehyde

2-chloro-7-(trifluoromethyl)-1H-indole-3-carbaldehyde (PubChem CID 3715017) has the molecular formula C10H5ClF3NO and a molecular weight of 247.60 g/mol. Its IUPAC name is 2-chloro-7-(trifluoromethyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-7-(trifluoromethyl)-1H-indole-3-carbaldehyde
PubChem CID3715017
Molecular FormulaC10H5ClF3NO
Molecular Weight247.60 g/mol
Exact Mass247.00
IUPAC Name2-chloro-7-(trifluoromethyl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(Cl)[nH]c2c(C(F)(F)F)cccc12
InChIInChI=1S/C10H5ClF3NO/c11-9-6(4-16)5-2-1-3-7(8(5)15-9)10(12,13)14/h1-4,15H
InChIKeyCUMHCIVLERGXKG-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

2-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 4640981
2-(4-methylphenyl)-7-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3505439
2-chloro-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 82383642
3-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 68745449
3-chloro-2-methyl-8-(trifluoromethyl)-1H-quinolin-4-one
CID 121236451
2-tert-butyl-7-chloro-1H-indole-3-carbaldehyde
CID 3796978
8-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione
CID 12592798
7-chloro-2-cyclopropyl-1H-indole-3-carbaldehyde
CID 123353144
7-chloro-2-methoxy-1H-indole-3-carbaldehyde
CID 82394981
4-oxo-8-(trifluoromethyl)-3H-quinazoline-2-carbaldehyde
CID 136918023
2-methoxy-3-methyl-7-(trifluoromethyl)-1H-indole
CID 174564104
4-chloro-2,6-bis(trifluoromethyl)benzaldehyde
CID 118990875

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(trifluoromethyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 2-chloro-7-(trifluoromethyl)-1H-indole-3-carbaldehyde (CID 3715017) is 2-chloro-7-(trifluoromethyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-chloro-7-(trifluoromethyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-chloro-7-(trifluoromethyl)-1H-indole-3-carbaldehyde is O=Cc1c(Cl)[nH]c2c(C(F)(F)F)cccc12.
What is the InChIKey of 2-chloro-7-(trifluoromethyl)-1H-indole-3-carbaldehyde?
The InChIKey is CUMHCIVLERGXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3NO/c11-9-6(4-16)5-2-1-3-7(8(5)15-9)10(12,13)14/h1-4,15H.
What are the key properties of 2-chloro-7-(trifluoromethyl)-1H-indole-3-carbaldehyde?
2-chloro-7-(trifluoromethyl)-1H-indole-3-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 2-chloro-7-(trifluoromethyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3715017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).