3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde

C13H5Cl3F3NO — CID 134621675

IUPAC3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(C(F)(F)F)cc1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C13H5Cl3F3NO/c14-9-1-6(2-10(15)12(9)16)8-3-7(13(17,18)19)4-20-11(8)5-21/h1-5H
InChIKeyWFCMXUPESPYSBN-UHFFFAOYSA-N
MW354.54 g/mol
LogP5.54
Rot. Bonds2

About 3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde

3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde (PubChem CID 134621675) has the molecular formula C13H5Cl3F3NO and a molecular weight of 354.54 g/mol. Its IUPAC name is 3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
PubChem CID134621675
Molecular FormulaC13H5Cl3F3NO
Molecular Weight354.54 g/mol
Exact Mass352.94
IUPAC Name3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(C(F)(F)F)cc1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C13H5Cl3F3NO/c14-9-1-6(2-10(15)12(9)16)8-3-7(13(17,18)19)4-20-11(8)5-21/h1-5H
InChIKeyWFCMXUPESPYSBN-UHFFFAOYSA-N
XLogP5.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 131869828
3-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 134626315
2-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyrimidine
CID 118847643
3,5-bis(trifluoromethyl)pyridine-2-carbaldehyde
CID 131282107
3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine
CID 53396566
3-chloro-5-(2,3,5-trichlorophenyl)pyridine-2-carbaldehyde
CID 134637334
5-chloro-3-(3,5-dichlorophenyl)pyridine-2-carbaldehyde
CID 133088128
2-chloro-4-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine
CID 119021738
(NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]hydroxylamine
CID 136676474
2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorobenzaldehyde
CID 15335409
2-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 118824997
5-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carbaldehyde
CID 169333045

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde (CID 134621675) is 3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde is O=Cc1ncc(C(F)(F)F)cc1-c1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is WFCMXUPESPYSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl3F3NO/c14-9-1-6(2-10(15)12(9)16)8-3-7(13(17,18)19)4-20-11(8)5-21/h1-5H.
What are the key properties of 3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde?
3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 354.54 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 134621675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).