3-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde

C14H10F3NO3 — CID 39860875

IUPAC3-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde
SMILESCOc1cc(C=O)ccc1Oc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H10F3NO3/c1-20-12-6-9(8-19)2-4-11(12)21-13-5-3-10(7-18-13)14(15,16)17/h2-8H,1H3
InChIKeyVTLNKJVCGMTQPL-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.71
Rot. Bonds4

About 3-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde

3-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde (PubChem CID 39860875) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 3-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde.

Molecular Properties

Compound Name3-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde
PubChem CID39860875
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name3-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde
SMILESCOc1cc(C=O)ccc1Oc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H10F3NO3/c1-20-12-6-9(8-19)2-4-11(12)21-13-5-3-10(7-18-13)14(15,16)17/h2-8H,1H3
InChIKeyVTLNKJVCGMTQPL-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
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-(2-methoxyphenoxy)-5-(trifluoromethyl)pyridine
CID 70516115
6-(4-formyl-2-methoxyphenoxy)pyridine-3-carboxamide
CID 59730016
4-[2-(difluoromethyl)-4-(trifluoromethyl)phenoxy]-3-methoxybenzaldehyde
CID 87642906
4-methoxy-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile
CID 21463678
5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 16776346
4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 143085806
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
2-(4-methoxy-3-nitrophenoxy)-5-(trifluoromethyl)pyridine
CID 166073857
3,5-dimethoxy-4-[4-(trifluoromethyl)phenoxy]benzaldehyde
CID 170440980
2-(2-fluorophenoxy)-5-(trifluoromethyl)pyridine
CID 894987
4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde
CID 174408807
3-[3,5-bis(trifluoromethyl)phenyl]-4-methoxybenzaldehyde
CID 118071467

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde?
The IUPAC name of 3-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde (CID 39860875) is 3-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde.
What is the SMILES notation for 3-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde?
The canonical SMILES for 3-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde is COc1cc(C=O)ccc1Oc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 3-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde?
The InChIKey is VTLNKJVCGMTQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c1-20-12-6-9(8-19)2-4-11(12)21-13-5-3-10(7-18-13)14(15,16)17/h2-8H,1H3.
What are the key properties of 3-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde?
3-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde has a molecular weight of 297.23 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde is sourced from PubChem (CID 39860875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).