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

C13H7ClF3NO — CID 134626315

IUPAC3-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
SMILESO=Cc1ncc(-c2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C13H7ClF3NO/c14-11-5-9(6-18-12(11)7-19)8-1-3-10(4-2-8)13(15,16)17/h1-7H
InChIKeyQQJIZAKQSNRAKF-UHFFFAOYSA-N
MW285.65 g/mol
LogP4.23
Rot. Bonds2

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

3-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde (PubChem CID 134626315) has the molecular formula C13H7ClF3NO and a molecular weight of 285.65 g/mol. Its IUPAC name is 3-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
PubChem CID134626315
Molecular FormulaC13H7ClF3NO
Molecular Weight285.65 g/mol
Exact Mass285.02
IUPAC Name3-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
SMILESO=Cc1ncc(-c2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C13H7ClF3NO/c14-11-5-9(6-18-12(11)7-19)8-1-3-10(4-2-8)13(15,16)17/h1-7H
InChIKeyQQJIZAKQSNRAKF-UHFFFAOYSA-N
XLogP4.23
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.65
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 134621675
5-chloro-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 134629506
3-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 131869828
5-(3,4-dichlorophenyl)-3-hydroxypyridine-2-carbaldehyde
CID 133092831
3,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134623472
3-chloro-5-(2,3,5-trichlorophenyl)pyridine-2-carbaldehyde
CID 134637334
3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine
CID 53396566
3,5-dipyridin-4-ylpyridine-2-carbaldehyde
CID 131869593
methyl 2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 87395859
3,5-bis(trifluoromethyl)pyridine-2-carbaldehyde
CID 131282107
2-chloro-4-[4-(trifluoromethyl)phenyl]aniline
CID 23626608
2-fluoro-3-iodo-5-[4-(trifluoromethyl)phenyl]pyridine
CID 133089573

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde?
The IUPAC name of 3-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde (CID 134626315) is 3-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 3-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde?
The canonical SMILES for 3-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde is O=Cc1ncc(-c2ccc(C(F)(F)F)cc2)cc1Cl.
What is the InChIKey of 3-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde?
The InChIKey is QQJIZAKQSNRAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3NO/c14-11-5-9(6-18-12(11)7-19)8-1-3-10(4-2-8)13(15,16)17/h1-7H.
What are the key properties of 3-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde?
3-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde has a molecular weight of 285.65 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 134626315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).