2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde

C13H8F3NO2 — CID 118819959

IUPAC2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde
SMILESO=Cc1cccnc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)19-11-5-3-9(4-6-11)12-10(8-18)2-1-7-17-12/h1-8H
InChIKeyWTWWMZWLJOTBNE-UHFFFAOYSA-N
MW267.21 g/mol
LogP3.46
Rot. Bonds3

About 2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde

2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde (PubChem CID 118819959) has the molecular formula C13H8F3NO2 and a molecular weight of 267.21 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde
PubChem CID118819959
Molecular FormulaC13H8F3NO2
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Name2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde
SMILESO=Cc1cccnc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)19-11-5-3-9(4-6-11)12-10(8-18)2-1-7-17-12/h1-8H
InChIKeyWTWWMZWLJOTBNE-UHFFFAOYSA-N
XLogP3.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 28875531
2-(4-bromophenyl)pyridine-3-carbaldehyde
CID 82380052
3-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carbaldehyde
CID 122477199
ethyl 4-(3-formyl-2-pyridinyl)benzoate
CID 57360940
4-[4-(trifluoromethoxy)phenyl]naphthalene-1-carbaldehyde
CID 171127397
2,3-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134617500
2,5-bis[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 162538499
5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134629495
5,6-bis[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 134629132
4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 59672975
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde
CID 134627713
3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 53224302

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde?
The IUPAC name of 2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde (CID 118819959) is 2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde?
The canonical SMILES for 2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde is O=Cc1cccnc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde?
The InChIKey is WTWWMZWLJOTBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2/c14-13(15,16)19-11-5-3-9(4-6-11)12-10(8-18)2-1-7-17-12/h1-8H.
What are the key properties of 2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde?
2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde has a molecular weight of 267.21 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 118819959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).