6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde

C14H10F3NO2 — CID 167053235

IUPAC6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(OCc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)12-4-1-10(2-5-12)9-20-13-6-3-11(8-19)7-18-13/h1-8H,9H2
InChIKeyRZYMBQAJYUSCOF-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.49
Rot. Bonds4

About 6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde

6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde (PubChem CID 167053235) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde
PubChem CID167053235
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(OCc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)12-4-1-10(2-5-12)9-20-13-6-3-11(8-19)7-18-13/h1-8H,9H2
InChIKeyRZYMBQAJYUSCOF-UHFFFAOYSA-N
XLogP3.49
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 53.49
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

6-phenylmethoxypyridine-3-carbaldehyde
CID 21102205
6-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 80632122
2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 60681232
2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine
CID 122631160
1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 163602291
5-bromo-2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 63530168
6-[(3-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 80631360
O-[5-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydroxylamine
CID 145175023
3-[[4-(trifluoromethyl)phenyl]methoxy]pyridazine
CID 134106459
6-(4-phenylmethoxyphenoxy)pyridine-3-carbaldehyde
CID 172879447
6-methoxypyridine-3-carbaldehyde
CID 3364576
4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 53329765

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde?
The IUPAC name of 6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde (CID 167053235) is 6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde is O=Cc1ccc(OCc2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of 6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde?
The InChIKey is RZYMBQAJYUSCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)12-4-1-10(2-5-12)9-20-13-6-3-11(8-19)7-18-13/h1-8H,9H2.
What are the key properties of 6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde?
6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde has a molecular weight of 281.23 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde is sourced from PubChem (CID 167053235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).