2-ethyl-6-(trifluoromethyl)pyridine-3-carbaldehyde

C9H8F3NO — CID 86625534

IUPAC2-ethyl-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCCc1nc(C(F)(F)F)ccc1C=O
InChIInChI=1S/C9H8F3NO/c1-2-7-6(5-14)3-4-8(13-7)9(10,11)12/h3-5H,2H2,1H3
InChIKeyBWEOLGRSLHTKRJ-UHFFFAOYSA-N
MW203.16 g/mol
LogP2.48
Rot. Bonds2

About 2-ethyl-6-(trifluoromethyl)pyridine-3-carbaldehyde

2-ethyl-6-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 86625534) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is 2-ethyl-6-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-6-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID86625534
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC Name2-ethyl-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCCc1nc(C(F)(F)F)ccc1C=O
InChIInChI=1S/C9H8F3NO/c1-2-7-6(5-14)3-4-8(13-7)9(10,11)12/h3-5H,2H2,1H3
InChIKeyBWEOLGRSLHTKRJ-UHFFFAOYSA-N
XLogP2.48
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 52.48
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-Acetyl-6-methylpyridine
CID 95292
3,5-Diacetyl-2,6-dimethylpyridine
CID 540145
2,5-Dimethyl-1-phenylpyrrole-3-carboxaldehyde
CID 66515
1-(2,4,6-Trimethylpyridin-3-yl)ethan-1-one
CID 268124
N-(2-fluorophenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 2795899
[2-Methyl-6-(trifluoromethyl)pyridin-3-yl](piperidino)methanone
CID 2796058
4,6-Dimethylpyridine-2-carbaldehyde
CID 225519
1-(2-Fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CID 818778
1-[6-(Trifluoromethyl)pyridin-3-yl]ethan-1-one
CID 21880578
6-(Trifluoromethyl)pyridine-3-carboxaldehyde
CID 2777762
5,8-Quinolinedione, 2-methyl-
CID 388305
5,8-Dioxoquinoline-2-carbaldehyde
CID 9794096

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-ethyl-6-(trifluoromethyl)pyridine-3-carbaldehyde (CID 86625534) is 2-ethyl-6-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-ethyl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-ethyl-6-(trifluoromethyl)pyridine-3-carbaldehyde is CCc1nc(C(F)(F)F)ccc1C=O.
What is the InChIKey of 2-ethyl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is BWEOLGRSLHTKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO/c1-2-7-6(5-14)3-4-8(13-7)9(10,11)12/h3-5H,2H2,1H3.
What are the key properties of 2-ethyl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
2-ethyl-6-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 203.16 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 86625534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).