2-(trifluoromethyl)-1,2-dihydropyridine-5-carbaldehyde

C7H6F3NO — CID 162608614

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

About 2-(trifluoromethyl)-1,2-dihydropyridine-5-carbaldehyde

2-(trifluoromethyl)-1,2-dihydropyridine-5-carbaldehyde (PubChem CID 162608614) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,2-dihydropyridine-5-carbaldehyde.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,2-dihydropyridine-5-carbaldehyde
PubChem CID162608614
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name2-(trifluoromethyl)-1,2-dihydropyridine-5-carbaldehyde
SMILESO=CC1=CNC(C(F)(F)F)C=C1
InChIInChI=1S/C7H6F3NO/c8-7(9,10)6-2-1-5(4-12)3-11-6/h1-4,6,11H
InChIKeyXYHBBLWSACSUQV-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

6-Oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbaldehyde
CID 53935510
2-(difluoromethyl)-1H-pyridine-2-carbaldehyde
CID 87209225
2-fluoro-2-(trifluoromethyl)-1H-pyridine-4-carbaldehyde
CID 142793309
2-fluoro-5-(trifluoromethyl)-1H-pyridine-2-carbaldehyde
CID 150478394
Ethane;2-(trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde
CID 164602671
2-(trifluoromethyl)-1H-pyridine-2-carbaldehyde
CID 176295079
4-(Difluoromethyl)-6-hydroxynicotinaldehyde
CID 118800652
2-(Trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde
CID 164602672
6-(Trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde
CID 164602786
1,2-Dihydropyridine-5-carbaldehyde
CID 19045893
1,2-Dihydropyridine-5-carbaldehyde;hydrate
CID 172777993
2-Methyl-1,2-dihydropyridine-5-carbaldehyde
CID 143026163

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,2-dihydropyridine-5-carbaldehyde?
The IUPAC name of 2-(trifluoromethyl)-1,2-dihydropyridine-5-carbaldehyde (CID 162608614) is 2-(trifluoromethyl)-1,2-dihydropyridine-5-carbaldehyde.
What is the SMILES notation for 2-(trifluoromethyl)-1,2-dihydropyridine-5-carbaldehyde?
The canonical SMILES for 2-(trifluoromethyl)-1,2-dihydropyridine-5-carbaldehyde is O=CC1=CNC(C(F)(F)F)C=C1.
What is the InChIKey of 2-(trifluoromethyl)-1,2-dihydropyridine-5-carbaldehyde?
The InChIKey is XYHBBLWSACSUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c8-7(9,10)6-2-1-5(4-12)3-11-6/h1-4,6,11H.
What are the key properties of 2-(trifluoromethyl)-1,2-dihydropyridine-5-carbaldehyde?
2-(trifluoromethyl)-1,2-dihydropyridine-5-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-5-carbaldehyde is sourced from PubChem (CID 162608614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).