3-methyl-6-(trifluoromethyl)-2,3-dihydropyridine-4-carbaldehyde

C8H8F3NO — CID 123365985

IUPAC3-methyl-6-(trifluoromethyl)-2,3-dihydropyridine-4-carbaldehyde
SMILESCC1CN=C(C(F)(F)F)C=C1C=O
InChIInChI=1S/C8H8F3NO/c1-5-3-12-7(8(9,10)11)2-6(5)4-13/h2,4-5H,3H2,1H3
InChIKeyBHTLTXKKXIDIMN-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.76
Rot. Bonds1

About 3-methyl-6-(trifluoromethyl)-2,3-dihydropyridine-4-carbaldehyde

3-methyl-6-(trifluoromethyl)-2,3-dihydropyridine-4-carbaldehyde (PubChem CID 123365985) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 3-methyl-6-(trifluoromethyl)-2,3-dihydropyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-methyl-6-(trifluoromethyl)-2,3-dihydropyridine-4-carbaldehyde
PubChem CID123365985
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name3-methyl-6-(trifluoromethyl)-2,3-dihydropyridine-4-carbaldehyde
SMILESCC1CN=C(C(F)(F)F)C=C1C=O
InChIInChI=1S/C8H8F3NO/c1-5-3-12-7(8(9,10)11)2-6(5)4-13/h2,4-5H,3H2,1H3
InChIKeyBHTLTXKKXIDIMN-UHFFFAOYSA-N
XLogP1.76
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.76
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

(E)-2-[N-propan-2-yl-C-(trifluoromethyl)carbonimidoyl]but-2-enal
CID 144379115
(E)-5,5-difluoro-2-methyl-4-methyliminohex-2-enal
CID 155718501
3-Methyl-2,3-dihydropyridine-4-carbaldehyde
CID 163702853

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(trifluoromethyl)-2,3-dihydropyridine-4-carbaldehyde?
The IUPAC name of 3-methyl-6-(trifluoromethyl)-2,3-dihydropyridine-4-carbaldehyde (CID 123365985) is 3-methyl-6-(trifluoromethyl)-2,3-dihydropyridine-4-carbaldehyde.
What is the SMILES notation for 3-methyl-6-(trifluoromethyl)-2,3-dihydropyridine-4-carbaldehyde?
The canonical SMILES for 3-methyl-6-(trifluoromethyl)-2,3-dihydropyridine-4-carbaldehyde is CC1CN=C(C(F)(F)F)C=C1C=O.
What is the InChIKey of 3-methyl-6-(trifluoromethyl)-2,3-dihydropyridine-4-carbaldehyde?
The InChIKey is BHTLTXKKXIDIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-5-3-12-7(8(9,10)11)2-6(5)4-13/h2,4-5H,3H2,1H3.
What are the key properties of 3-methyl-6-(trifluoromethyl)-2,3-dihydropyridine-4-carbaldehyde?
3-methyl-6-(trifluoromethyl)-2,3-dihydropyridine-4-carbaldehyde has a molecular weight of 191.15 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(trifluoromethyl)-2,3-dihydropyridine-4-carbaldehyde is sourced from PubChem (CID 123365985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).