2-(trifluoromethoxy)pyridine-4-carbaldehyde

C7H4F3NO2 — CID 118815205

IUPAC2-(trifluoromethoxy)pyridine-4-carbaldehyde
SMILESO=Cc1ccnc(OC(F)(F)F)c1
InChIInChI=1S/C7H4F3NO2/c8-7(9,10)13-6-3-5(4-12)1-2-11-6/h1-4H
InChIKeyKSEUMJSRUCGTHH-UHFFFAOYSA-N
MW191.11 g/mol
LogP1.79
Rot. Bonds2

About 2-(trifluoromethoxy)pyridine-4-carbaldehyde

2-(trifluoromethoxy)pyridine-4-carbaldehyde (PubChem CID 118815205) has the molecular formula C7H4F3NO2 and a molecular weight of 191.11 g/mol. Its IUPAC name is 2-(trifluoromethoxy)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(trifluoromethoxy)pyridine-4-carbaldehyde
PubChem CID118815205
Molecular FormulaC7H4F3NO2
Molecular Weight191.11 g/mol
Exact Mass191.02
IUPAC Name2-(trifluoromethoxy)pyridine-4-carbaldehyde
SMILESO=Cc1ccnc(OC(F)(F)F)c1
InChIInChI=1S/C7H4F3NO2/c8-7(9,10)13-6-3-5(4-12)1-2-11-6/h1-4H
InChIKeyKSEUMJSRUCGTHH-UHFFFAOYSA-N
XLogP1.79
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 51.79
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

Pyridine, 2-methoxy-4-(trifluoromethyl)-
CID 18539797
6-(2,2,2-Trifluoroethoxy)nicotinamide
CID 2727208
6-Methoxypyridine-3-carbaldehyde
CID 3364576
2-(Trifluoromethoxy)-4-pyridinecarboxylic acid
CID 49871140
2-(Difluoromethoxy)isonicotinic acid
CID 68050402
2-Methoxy-5-(trifluoromethyl)pyridine
CID 2775312
2-Methoxyisonicotinic Acid
CID 819942
6-Methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2775313
Methyl 2-methoxyisonicotinate
CID 14223465
2-Methoxy-3-(trifluoromethyl)pyridine
CID 2775309
2-Methoxypyridine-3-carbaldehyde
CID 12533391
2-Methoxyisonicotinohydrazide
CID 322551

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)pyridine-4-carbaldehyde?
The IUPAC name of 2-(trifluoromethoxy)pyridine-4-carbaldehyde (CID 118815205) is 2-(trifluoromethoxy)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-(trifluoromethoxy)pyridine-4-carbaldehyde?
The canonical SMILES for 2-(trifluoromethoxy)pyridine-4-carbaldehyde is O=Cc1ccnc(OC(F)(F)F)c1.
What is the InChIKey of 2-(trifluoromethoxy)pyridine-4-carbaldehyde?
The InChIKey is KSEUMJSRUCGTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2/c8-7(9,10)13-6-3-5(4-12)1-2-11-6/h1-4H.
What are the key properties of 2-(trifluoromethoxy)pyridine-4-carbaldehyde?
2-(trifluoromethoxy)pyridine-4-carbaldehyde has a molecular weight of 191.11 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)pyridine-4-carbaldehyde is sourced from PubChem (CID 118815205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).