2-(2-chlorophenoxy)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde

C19H11ClF3NO2 — CID 59585002

IUPAC2-(2-chlorophenoxy)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1Oc1ccccc1Cl
InChIInChI=1S/C19H11ClF3NO2/c20-15-6-1-2-7-17(15)26-18-13(11-25)8-9-16(24-18)12-4-3-5-14(10-12)19(21,22)23/h1-11H
InChIKeyRLWCECSQBUGXJP-UHFFFAOYSA-N
MW377.75 g/mol
LogP6.03
Rot. Bonds4

About 2-(2-chlorophenoxy)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde

2-(2-chlorophenoxy)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde (PubChem CID 59585002) has the molecular formula C19H11ClF3NO2 and a molecular weight of 377.75 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
PubChem CID59585002
Molecular FormulaC19H11ClF3NO2
Molecular Weight377.75 g/mol
Exact Mass377.04
IUPAC Name2-(2-chlorophenoxy)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1Oc1ccccc1Cl
InChIInChI=1S/C19H11ClF3NO2/c20-15-6-1-2-7-17(15)26-18-13(11-25)8-9-16(24-18)12-4-3-5-14(10-12)19(21,22)23/h1-11H
InChIKeyRLWCECSQBUGXJP-UHFFFAOYSA-N
XLogP6.03
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.75
LogP ≤ 56.03
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

2-(4-Chlorophenoxy)quinoline-3-carbaldehyde
CID 28951868
2-(4-Chlorophenoxy)-6-methyl-quinoline-3-carbaldehyde
CID 54769797
2-(4-Chlorophenoxy)-6-methoxy-quinoline-3-carbaldehyde
CID 54769799
2-[4-(Trifluoromethyl)phenoxy]quinoline-3-carbaldehyde
CID 155927516
5-(1,1-Difluoroethyl)-6-methyl-2-phenylmethoxypyridine-3-carbaldehyde
CID 21690535
2-(2-Chlorophenoxy)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)nicotinic acid
CID 24755592
2-(2-Chlorophenoxy)-6-(2-fluoro-3-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 24800103
2-(2-Chlorophenoxy)-6-(3,5-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 24800104
2-(2-Chlorophenoxy)-6-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 24800105
2-(2-Chlorophenoxy)-6-(2-fluoro-3-methoxyphenyl)-4-methylnicotinic acid
CID 24800106
2-(2-Chlorophenoxy)-5-fluoro-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 24800270
2-(2-Chlorophenoxy)-5-fluoro-6-(3-trifluoromethylphenyl)nicotinic acid
CID 24800271

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The IUPAC name of 2-(2-chlorophenoxy)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde (CID 59585002) is 2-(2-chlorophenoxy)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(2-chlorophenoxy)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(2-chlorophenoxy)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde is O=Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1Oc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The InChIKey is RLWCECSQBUGXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF3NO2/c20-15-6-1-2-7-17(15)26-18-13(11-25)8-9-16(24-18)12-4-3-5-14(10-12)19(21,22)23/h1-11H.
What are the key properties of 2-(2-chlorophenoxy)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
2-(2-chlorophenoxy)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde has a molecular weight of 377.75 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 59585002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).