2-(trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde

C7H6F3NO — CID 164602672

IUPAC2-(trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde
SMILESO=CC1=CC(C(F)(F)F)NC=C1
InChIInChI=1S/C7H6F3NO/c8-7(9,10)6-3-5(4-12)1-2-11-6/h1-4,6,11H
InChIKeyKITRFXONZRSDLR-UHFFFAOYSA-N
MW177.12 g/mol
LogP1.16
Rot. Bonds1

About 2-(trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde

2-(trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde (PubChem CID 164602672) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde
PubChem CID164602672
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name2-(trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde
SMILESO=CC1=CC(C(F)(F)F)NC=C1
InChIInChI=1S/C7H6F3NO/c8-7(9,10)6-3-5(4-12)1-2-11-6/h1-4,6,11H
InChIKeyKITRFXONZRSDLR-UHFFFAOYSA-N
XLogP1.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 51.16
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-(difluoromethyl)-1H-pyridine-2-carbaldehyde
CID 87209225
2-Fluoro-1,2-dihydropyridine-4-carbaldehyde
CID 90261481
2-fluoro-2-(trifluoromethyl)-1H-pyridine-4-carbaldehyde
CID 142793309
2-fluoro-5-(trifluoromethyl)-1H-pyridine-2-carbaldehyde
CID 150478394
(E)-3-[5-fluoro-3-(trifluoromethylamino)cyclohexa-1,5-dien-1-yl]prop-2-enal
CID 155108238
Ethane;2-(trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde
CID 164602671
Ethane;6-(trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde
CID 164602785
2-(trifluoromethyl)-1H-pyridine-2-carbaldehyde
CID 176295079
2-Hydroxy-5-(trifluoromethyl)isonicotinaldehyde
CID 118704367
5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde
CID 130097176
2-(Trifluoromethyl)-1,2-dihydropyridine-5-carbaldehyde
CID 162608614
6-(Trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde
CID 164602786

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde?
The IUPAC name of 2-(trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde (CID 164602672) is 2-(trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde.
What is the SMILES notation for 2-(trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde?
The canonical SMILES for 2-(trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde is O=CC1=CC(C(F)(F)F)NC=C1.
What is the InChIKey of 2-(trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde?
The InChIKey is KITRFXONZRSDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c8-7(9,10)6-3-5(4-12)1-2-11-6/h1-4,6,11H.
What are the key properties of 2-(trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde?
2-(trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde has a molecular weight of 177.12 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde is sourced from PubChem (CID 164602672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).