2-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde

C13H6Cl2F3NO — CID 170837769

IUPAC2-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(-c2cc(Cl)ccc2Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C13H6Cl2F3NO/c14-8-1-2-10(15)9(5-8)11-3-7(6-20)4-12(19-11)13(16,17)18/h1-6H
InChIKeyMJNQHOITRKGQDF-UHFFFAOYSA-N
MW320.10 g/mol
LogP4.89
Rot. Bonds2

About 2-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde

2-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde (PubChem CID 170837769) has the molecular formula C13H6Cl2F3NO and a molecular weight of 320.10 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde
PubChem CID170837769
Molecular FormulaC13H6Cl2F3NO
Molecular Weight320.10 g/mol
Exact Mass318.98
IUPAC Name2-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(-c2cc(Cl)ccc2Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C13H6Cl2F3NO/c14-8-1-2-10(15)9(5-8)11-3-7(6-20)4-12(19-11)13(16,17)18/h1-6H
InChIKeyMJNQHOITRKGQDF-UHFFFAOYSA-N
XLogP4.89
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.10
LogP ≤ 54.89
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

2-chloro-6-(2,5-dichlorophenyl)pyridine-4-carbaldehyde
CID 119017180
4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563203
2-[[4-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-methylamino]acetic acid
CID 91926674
2-chloro-6-(2,4-dichlorophenyl)pyridine-4-carbaldehyde
CID 91871877
2-chloro-4-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine
CID 57468690
4-chloro-2-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134637430
2-(2,5-dichlorophenyl)-5-fluoropyridine-4-carbaldehyde
CID 133091145
2-[2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118807924
2-(2,5-dichlorophenyl)-5-(trifluoromethyl)pyridine
CID 118813630
4-(2,4-dichlorophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 91926431
6-(2,5-dichlorophenyl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769215
[2-chloro-6-(2,5-dichlorophenyl)-4-pyridinyl]methanol
CID 119006954

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde?
The IUPAC name of 2-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde (CID 170837769) is 2-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde is O=Cc1cc(-c2cc(Cl)ccc2Cl)nc(C(F)(F)F)c1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde?
The InChIKey is MJNQHOITRKGQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F3NO/c14-8-1-2-10(15)9(5-8)11-3-7(6-20)4-12(19-11)13(16,17)18/h1-6H.
What are the key properties of 2-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde?
2-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde has a molecular weight of 320.10 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 170837769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).