2,3-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde

C20H11F6NO3 — CID 134617500

IUPAC2,3-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
SMILESO=Cc1ccnc(-c2cccc(OC(F)(F)F)c2)c1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H11F6NO3/c21-19(22,23)29-15-5-1-3-12(9-15)17-14(11-28)7-8-27-18(17)13-4-2-6-16(10-13)30-20(24,25)26/h1-11H
InChIKeyBAIGFQIPTOSADV-UHFFFAOYSA-N
MW427.30 g/mol
LogP6.03
Rot. Bonds5

About 2,3-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde

2,3-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde (PubChem CID 134617500) has the molecular formula C20H11F6NO3 and a molecular weight of 427.30 g/mol. Its IUPAC name is 2,3-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2,3-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
PubChem CID134617500
Molecular FormulaC20H11F6NO3
Molecular Weight427.30 g/mol
Exact Mass427.06
IUPAC Name2,3-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
SMILESO=Cc1ccnc(-c2cccc(OC(F)(F)F)c2)c1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H11F6NO3/c21-19(22,23)29-15-5-1-3-12(9-15)17-14(11-28)7-8-27-18(17)13-4-2-6-16(10-13)30-20(24,25)26/h1-11H
InChIKeyBAIGFQIPTOSADV-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

4-fluoro-2-[3-(trifluoromethoxy)phenyl]benzaldehyde
CID 103694064
4-chloro-6-[3-(trifluoromethoxy)phenyl]pyrimidine-5-carbaldehyde
CID 79079025
5-fluoro-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 133089187
2-[3-chloro-2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134625724
2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde
CID 118819959
6-amino-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 87405373
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbonitrile
CID 134621656
2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086749
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
methane;3-(trifluoromethoxy)benzaldehyde
CID 143923091
3,4-bis[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 134622968

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde?
The IUPAC name of 2,3-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde (CID 134617500) is 2,3-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde.
What is the SMILES notation for 2,3-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde?
The canonical SMILES for 2,3-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde is O=Cc1ccnc(-c2cccc(OC(F)(F)F)c2)c1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2,3-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde?
The InChIKey is BAIGFQIPTOSADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F6NO3/c21-19(22,23)29-15-5-1-3-12(9-15)17-14(11-28)7-8-27-18(17)13-4-2-6-16(10-13)30-20(24,25)26/h1-11H.
What are the key properties of 2,3-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde?
2,3-bis[3-(trifluoromethoxy)phenyl]pyridine-4-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 2,3-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde is sourced from PubChem (CID 134617500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).