3-methoxy-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde

C14H10F3NO3 — CID 134627172

IUPAC3-methoxy-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
SMILESCOc1cncc(-c2ccc(OC(F)(F)F)cc2)c1C=O
InChIInChI=1S/C14H10F3NO3/c1-20-13-7-18-6-11(12(13)8-19)9-2-4-10(5-3-9)21-14(15,16)17/h2-8H,1H3
InChIKeyAGFGHIFIFYXLFN-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.47
Rot. Bonds4

About 3-methoxy-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde

3-methoxy-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde (PubChem CID 134627172) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 3-methoxy-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-methoxy-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
PubChem CID134627172
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name3-methoxy-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
SMILESCOc1cncc(-c2ccc(OC(F)(F)F)cc2)c1C=O
InChIInChI=1S/C14H10F3NO3/c1-20-13-7-18-6-11(12(13)8-19)9-2-4-10(5-3-9)21-14(15,16)17/h2-8H,1H3
InChIKeyAGFGHIFIFYXLFN-UHFFFAOYSA-N
XLogP3.47
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine
CID 119023507
methane;4-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]benzaldehyde
CID 143849528
2,6-difluoro-4-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 175684292
2-chloro-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119020781
4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene
CID 134629678
2-(2-methoxyphenyl)-6-(trifluoromethoxy)benzaldehyde
CID 172993966
2-(4-methylphenyl)-6-(trifluoromethoxy)benzaldehyde
CID 172993981
2,5-bis[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 162538499
5,6-bis[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 134629132
3-[4-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde
CID 23063720
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134677184
2-(difluoromethyl)-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134617258

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde?
The IUPAC name of 3-methoxy-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde (CID 134627172) is 3-methoxy-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde.
What is the SMILES notation for 3-methoxy-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde?
The canonical SMILES for 3-methoxy-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde is COc1cncc(-c2ccc(OC(F)(F)F)cc2)c1C=O.
What is the InChIKey of 3-methoxy-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde?
The InChIKey is AGFGHIFIFYXLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c1-20-13-7-18-6-11(12(13)8-19)9-2-4-10(5-3-9)21-14(15,16)17/h2-8H,1H3.
What are the key properties of 3-methoxy-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde?
3-methoxy-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde has a molecular weight of 297.23 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde is sourced from PubChem (CID 134627172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).