5,6-bis[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde

C20H11F6NO3 — CID 134629132

IUPAC5,6-bis[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(OC(F)(F)F)cc2)c(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C20H11F6NO3/c21-19(22,23)29-15-6-1-12(2-7-15)17-10-5-14(11-28)27-18(17)13-3-8-16(9-4-13)30-20(24,25)26/h1-11H
InChIKeyBRIAKUZKRIAEEY-UHFFFAOYSA-N
MW427.30 g/mol
LogP6.03
Rot. Bonds5

About 5,6-bis[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde

5,6-bis[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde (PubChem CID 134629132) has the molecular formula C20H11F6NO3 and a molecular weight of 427.30 g/mol. Its IUPAC name is 5,6-bis[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5,6-bis[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
PubChem CID134629132
Molecular FormulaC20H11F6NO3
Molecular Weight427.30 g/mol
Exact Mass427.06
IUPAC Name5,6-bis[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(OC(F)(F)F)cc2)c(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C20H11F6NO3/c21-19(22,23)29-15-6-1-12(2-7-15)17-10-5-14(11-28)27-18(17)13-3-8-16(9-4-13)30-20(24,25)26/h1-11H
InChIKeyBRIAKUZKRIAEEY-UHFFFAOYSA-N
XLogP6.03
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.30
LogP ≤ 56.03
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

2,5-bis[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 162538499
4-[4-(trifluoromethoxy)phenyl]naphthalene-1-carbaldehyde
CID 171127397
2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde
CID 118819959
3-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carbaldehyde
CID 122477199
4-hydroxy-3-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 165416807
3-[4-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde
CID 23063720
methane;4-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]benzaldehyde
CID 143849528
3-methoxy-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134627172
6-fluoro-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 133089210
2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
CID 119008449
3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzaldehyde
CID 118811729
2-[4-(trifluoromethoxy)phenyl]-1,3-benzothiazole-5-carbaldehyde
CID 122424122

Frequently Asked Questions

What is the IUPAC name of 5,6-bis[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde?
The IUPAC name of 5,6-bis[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde (CID 134629132) is 5,6-bis[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 5,6-bis[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde?
The canonical SMILES for 5,6-bis[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde is O=Cc1ccc(-c2ccc(OC(F)(F)F)cc2)c(-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 5,6-bis[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde?
The InChIKey is BRIAKUZKRIAEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F6NO3/c21-19(22,23)29-15-6-1-12(2-7-15)17-10-5-14(11-28)27-18(17)13-3-8-16(9-4-13)30-20(24,25)26/h1-11H.
What are the key properties of 5,6-bis[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde?
5,6-bis[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde has a molecular weight of 427.30 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 134629132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).