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

C13H7ClF3NO2 — CID 134629495

IUPAC5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
SMILESO=Cc1cc(-c2ccc(OC(F)(F)F)cc2)ncc1Cl
InChIInChI=1S/C13H7ClF3NO2/c14-11-6-18-12(5-9(11)7-19)8-1-3-10(4-2-8)20-13(15,16)17/h1-7H
InChIKeyPHICELHMMFEIAT-UHFFFAOYSA-N
MW301.65 g/mol
LogP4.11
Rot. Bonds3

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

5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde (PubChem CID 134629495) has the molecular formula C13H7ClF3NO2 and a molecular weight of 301.65 g/mol. Its IUPAC name is 5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
PubChem CID134629495
Molecular FormulaC13H7ClF3NO2
Molecular Weight301.65 g/mol
Exact Mass301.01
IUPAC Name5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
SMILESO=Cc1cc(-c2ccc(OC(F)(F)F)cc2)ncc1Cl
InChIInChI=1S/C13H7ClF3NO2/c14-11-6-18-12(5-9(11)7-19)8-1-3-10(4-2-8)20-13(15,16)17/h1-7H
InChIKeyPHICELHMMFEIAT-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

[5-chloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 134629503
2-chloro-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 119020600
4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane
CID 143849483
2,5-bis[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 162538499
2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde
CID 118819959
2-[4-(trifluoromethoxy)phenyl]pyrazine
CID 91219772
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde
CID 134627713
2-[(4-chlorophenyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 58007960
3-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carbaldehyde
CID 122477199
methane;4-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]benzaldehyde
CID 143849528
3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine
CID 43583892
6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxylic acid
CID 148732120

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde?
The IUPAC name of 5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde (CID 134629495) is 5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde.
What is the SMILES notation for 5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde?
The canonical SMILES for 5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde is O=Cc1cc(-c2ccc(OC(F)(F)F)cc2)ncc1Cl.
What is the InChIKey of 5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde?
The InChIKey is PHICELHMMFEIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3NO2/c14-11-6-18-12(5-9(11)7-19)8-1-3-10(4-2-8)20-13(15,16)17/h1-7H.
What are the key properties of 5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde?
5-chloro-2-[4-(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 5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde is sourced from PubChem (CID 134629495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).