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

C13H7ClF3NO — CID 119013869

IUPAC2-chloro-3-[4-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
SMILESO=Cc1ccnc(Cl)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H7ClF3NO/c14-12-11(9(7-19)5-6-18-12)8-1-3-10(4-2-8)13(15,16)17/h1-7H
InChIKeyWWKAKFFLBXXATA-UHFFFAOYSA-N
MW285.65 g/mol
LogP4.23
Rot. Bonds2

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

2-chloro-3-[4-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde (PubChem CID 119013869) has the molecular formula C13H7ClF3NO and a molecular weight of 285.65 g/mol. Its IUPAC name is 2-chloro-3-[4-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-chloro-3-[4-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
PubChem CID119013869
Molecular FormulaC13H7ClF3NO
Molecular Weight285.65 g/mol
Exact Mass285.02
IUPAC Name2-chloro-3-[4-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
SMILESO=Cc1ccnc(Cl)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H7ClF3NO/c14-12-11(9(7-19)5-6-18-12)8-1-3-10(4-2-8)13(15,16)17/h1-7H
InChIKeyWWKAKFFLBXXATA-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-(4-fluorophenyl)pyridine-4-carbaldehyde
CID 119011703
[2-chloro-3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 134619576
5-chloro-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 134629506
4-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 82382595
1,2,3,4,5-pentachloro-6-[4-(trifluoromethyl)phenyl]benzene
CID 118809445
3-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 134626315
2-chloro-3-(2,3-difluorophenyl)pyridine-4-carbaldehyde
CID 133093653
5-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbaldehyde
CID 2781846
2-chloro-3-(2,5-dichlorophenyl)pyridine-4-carbaldehyde
CID 119012819
2-(2,3,6-trichlorophenyl)-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 118819242
2,2,2-trifluoroacetaldehyde;[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine
CID 160804055
2-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 118824997

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[4-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde?
The IUPAC name of 2-chloro-3-[4-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde (CID 119013869) is 2-chloro-3-[4-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde.
What is the SMILES notation for 2-chloro-3-[4-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde?
The canonical SMILES for 2-chloro-3-[4-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde is O=Cc1ccnc(Cl)c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-chloro-3-[4-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde?
The InChIKey is WWKAKFFLBXXATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3NO/c14-12-11(9(7-19)5-6-18-12)8-1-3-10(4-2-8)13(15,16)17/h1-7H.
What are the key properties of 2-chloro-3-[4-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde?
2-chloro-3-[4-(trifluoromethyl)phenyl]pyridine-4-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 2-chloro-3-[4-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde is sourced from PubChem (CID 119013869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).