2-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-3-carbaldehyde

C15H9F3N2O — CID 4640981

IUPAC2-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccncc2)[nH]c2c(C(F)(F)F)cccc12
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)12-3-1-2-10-11(8-21)13(20-14(10)12)9-4-6-19-7-5-9/h1-8,20H
InChIKeyJRTRUABRRVTWCG-UHFFFAOYSA-N
MW290.24 g/mol
LogP4.06
Rot. Bonds2

About 2-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-3-carbaldehyde

2-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-3-carbaldehyde (PubChem CID 4640981) has the molecular formula C15H9F3N2O and a molecular weight of 290.24 g/mol. Its IUPAC name is 2-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-3-carbaldehyde
PubChem CID4640981
Molecular FormulaC15H9F3N2O
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name2-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccncc2)[nH]c2c(C(F)(F)F)cccc12
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)12-3-1-2-10-11(8-21)13(20-14(10)12)9-4-6-19-7-5-9/h1-8,20H
InChIKeyJRTRUABRRVTWCG-UHFFFAOYSA-N
XLogP4.06
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)-7-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3505439
2-chloro-7-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3715017
5-phenyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde
CID 3741706
6-chloro-7-methyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde
CID 3786760
7-fluoro-2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 3753666
7-methyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 3762825
2-phenyl-1H-pyrrolo[2,3-f]isoquinoline-3-carbaldehyde
CID 86640250
2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 5225216
2-(4-phenylphenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3538844
7-fluoro-2-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 3810268
4-[2-iodo-3-(trifluoromethyl)phenyl]pyridine
CID 46315883
4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinoline-3,8-dicarbaldehyde
CID 88871646

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 2-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-3-carbaldehyde (CID 4640981) is 2-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-3-carbaldehyde is O=Cc1c(-c2ccncc2)[nH]c2c(C(F)(F)F)cccc12.
What is the InChIKey of 2-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-3-carbaldehyde?
The InChIKey is JRTRUABRRVTWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O/c16-15(17,18)12-3-1-2-10-11(8-21)13(20-14(10)12)9-4-6-19-7-5-9/h1-8,20H.
What are the key properties of 2-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-3-carbaldehyde?
2-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-3-carbaldehyde has a molecular weight of 290.24 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 4640981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).