3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde

C13H7ClF3NO2 — CID 134626254

IUPAC3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
SMILESO=Cc1c(Cl)cncc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H7ClF3NO2/c14-11-6-18-5-9(10(11)7-19)8-3-1-2-4-12(8)20-13(15,16)17/h1-7H
InChIKeyNDWQCIDZOAGLRR-UHFFFAOYSA-N
MW301.65 g/mol
LogP4.11
Rot. Bonds3

About 3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde

3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde (PubChem CID 134626254) has the molecular formula C13H7ClF3NO2 and a molecular weight of 301.65 g/mol. Its IUPAC name is 3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
PubChem CID134626254
Molecular FormulaC13H7ClF3NO2
Molecular Weight301.65 g/mol
Exact Mass301.01
IUPAC Name3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
SMILESO=Cc1c(Cl)cncc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H7ClF3NO2/c14-11-6-18-5-9(10(11)7-19)8-3-1-2-4-12(8)20-13(15,16)17/h1-7H
InChIKeyNDWQCIDZOAGLRR-UHFFFAOYSA-N
XLogP4.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.65
LogP ≤ 54.11
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-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134621239
3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine
CID 134622953
2-(2-chlorophenyl)-6-(trifluoromethoxy)benzaldehyde
CID 172993965
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
6-chloro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 134630932
4-methoxy-3,5-bis[2-(trifluoromethoxy)phenyl]pyridine
CID 134623318
2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde
CID 172876941
2-(2-methoxyphenyl)-6-(trifluoromethoxy)benzaldehyde
CID 172993966
3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine
CID 134626259
1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118996198
3-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carbaldehyde
CID 134635841
2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine
CID 119003076

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde?
The IUPAC name of 3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde (CID 134626254) is 3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde.
What is the SMILES notation for 3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde?
The canonical SMILES for 3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde is O=Cc1c(Cl)cncc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde?
The InChIKey is NDWQCIDZOAGLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3NO2/c14-11-6-18-5-9(10(11)7-19)8-3-1-2-4-12(8)20-13(15,16)17/h1-7H.
What are the key properties of 3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde?
3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde has a molecular weight of 301.65 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde is sourced from PubChem (CID 134626254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).