methane;4-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]benzaldehyde

C20H16F3NO2 — CID 143849528

IUPACmethane;4-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]benzaldehyde
SMILESC.O=Cc1ccc(-c2cncc(-c3ccc(OC(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C19H12F3NO2.CH4/c20-19(21,22)25-18-7-5-15(6-8-18)17-9-16(10-23-11-17)14-3-1-13(12-24)2-4-14;/h1-12H;1H4
InChIKeyOCLSQRIEDRFUFR-UHFFFAOYSA-N
MW359.35 g/mol
LogP5.76
Rot. Bonds4

About methane;4-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]benzaldehyde

methane;4-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]benzaldehyde (PubChem CID 143849528) has the molecular formula C20H16F3NO2 and a molecular weight of 359.35 g/mol. Its IUPAC name is methane;4-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]benzaldehyde.

Molecular Properties

Compound Namemethane;4-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]benzaldehyde
PubChem CID143849528
Molecular FormulaC20H16F3NO2
Molecular Weight359.35 g/mol
Exact Mass359.11
IUPAC Namemethane;4-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]benzaldehyde
SMILESC.O=Cc1ccc(-c2cncc(-c3ccc(OC(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C19H12F3NO2.CH4/c20-19(21,22)25-18-7-5-15(6-8-18)17-9-16(10-23-11-17)14-3-1-13(12-24)2-4-14;/h1-12H;1H4
InChIKeyOCLSQRIEDRFUFR-UHFFFAOYSA-N
XLogP5.76
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.35
LogP ≤ 55.76
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

3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzaldehyde
CID 118811729
3-methyl-5-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 122475705
4-hydroxy-3-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 165416807
[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine;dihydrochloride
CID 171369144
2,6-difluoro-4-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 175684292
N-methylethanamine;4-(trifluoromethoxy)benzaldehyde
CID 171100197
2-[4-(trifluoromethoxy)phenyl]-1,3-benzothiazole-5-carbaldehyde
CID 122424122
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
2,5-bis[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 162538499
3-methoxy-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134627172
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde
CID 134627713
1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
CID 164895353

Frequently Asked Questions

What is the IUPAC name of methane;4-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]benzaldehyde?
The IUPAC name of methane;4-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]benzaldehyde (CID 143849528) is methane;4-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]benzaldehyde.
What is the SMILES notation for methane;4-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]benzaldehyde?
The canonical SMILES for methane;4-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]benzaldehyde is C.O=Cc1ccc(-c2cncc(-c3ccc(OC(F)(F)F)cc3)c2)cc1.
What is the InChIKey of methane;4-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]benzaldehyde?
The InChIKey is OCLSQRIEDRFUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3NO2.CH4/c20-19(21,22)25-18-7-5-15(6-8-18)17-9-16(10-23-11-17)14-3-1-13(12-24)2-4-14;/h1-12H;1H4.
What are the key properties of methane;4-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]benzaldehyde?
methane;4-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]benzaldehyde has a molecular weight of 359.35 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]benzaldehyde is sourced from PubChem (CID 143849528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).