2-(5-chloro-2-methylphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde

C19H12ClF2NO2 — CID 59584996

IUPAC2-(5-chloro-2-methylphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde
SMILESCc1ccc(Cl)cc1Oc1nc(-c2cccc(F)c2F)ccc1C=O
InChIInChI=1S/C19H12ClF2NO2/c1-11-5-7-13(20)9-17(11)25-19-12(10-24)6-8-16(23-19)14-3-2-4-15(21)18(14)22/h2-10H,1H3
InChIKeyODXTYYIIJBFAKJ-UHFFFAOYSA-N
MW359.76 g/mol
LogP5.59
Rot. Bonds4

About 2-(5-chloro-2-methylphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde

2-(5-chloro-2-methylphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde (PubChem CID 59584996) has the molecular formula C19H12ClF2NO2 and a molecular weight of 359.76 g/mol. Its IUPAC name is 2-(5-chloro-2-methylphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(5-chloro-2-methylphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde
PubChem CID59584996
Molecular FormulaC19H12ClF2NO2
Molecular Weight359.76 g/mol
Exact Mass359.05
IUPAC Name2-(5-chloro-2-methylphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde
SMILESCc1ccc(Cl)cc1Oc1nc(-c2cccc(F)c2F)ccc1C=O
InChIInChI=1S/C19H12ClF2NO2/c1-11-5-7-13(20)9-17(11)25-19-12(10-24)6-8-16(23-19)14-3-2-4-15(21)18(14)22/h2-10H,1H3
InChIKeyODXTYYIIJBFAKJ-UHFFFAOYSA-N
XLogP5.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.76
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-(5-chloro-2-methylphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde (CID 59584996) is 2-(5-chloro-2-methylphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(5-chloro-2-methylphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(5-chloro-2-methylphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde is Cc1ccc(Cl)cc1Oc1nc(-c2cccc(F)c2F)ccc1C=O.
What is the InChIKey of 2-(5-chloro-2-methylphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde?
The InChIKey is ODXTYYIIJBFAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2NO2/c1-11-5-7-13(20)9-17(11)25-19-12(10-24)6-8-16(23-19)14-3-2-4-15(21)18(14)22/h2-10H,1H3.
What are the key properties of 2-(5-chloro-2-methylphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde?
2-(5-chloro-2-methylphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde has a molecular weight of 359.76 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 59584996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).