2-(2-chlorophenoxy)-6-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde

C19H10Cl2F3NO2 — CID 59584992

IUPAC2-(2-chlorophenoxy)-6-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)nc1Oc1ccccc1Cl
InChIInChI=1S/C19H10Cl2F3NO2/c20-14-7-5-11(9-13(14)19(22,23)24)16-8-6-12(10-26)18(25-16)27-17-4-2-1-3-15(17)21/h1-10H
InChIKeyDNQCOBOFVQWTDW-UHFFFAOYSA-N
MW412.19 g/mol
LogP6.68
Rot. Bonds4

About 2-(2-chlorophenoxy)-6-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde

2-(2-chlorophenoxy)-6-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde (PubChem CID 59584992) has the molecular formula C19H10Cl2F3NO2 and a molecular weight of 412.19 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-6-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-6-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
PubChem CID59584992
Molecular FormulaC19H10Cl2F3NO2
Molecular Weight412.19 g/mol
Exact Mass411.00
IUPAC Name2-(2-chlorophenoxy)-6-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)nc1Oc1ccccc1Cl
InChIInChI=1S/C19H10Cl2F3NO2/c20-14-7-5-11(9-13(14)19(22,23)24)16-8-6-12(10-26)18(25-16)27-17-4-2-1-3-15(17)21/h1-10H
InChIKeyDNQCOBOFVQWTDW-UHFFFAOYSA-N
XLogP6.68
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.19
LogP ≤ 56.68
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-(2-chlorophenoxy)-6-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The IUPAC name of 2-(2-chlorophenoxy)-6-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde (CID 59584992) is 2-(2-chlorophenoxy)-6-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(2-chlorophenoxy)-6-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(2-chlorophenoxy)-6-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde is O=Cc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)nc1Oc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-6-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The InChIKey is DNQCOBOFVQWTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2F3NO2/c20-14-7-5-11(9-13(14)19(22,23)24)16-8-6-12(10-26)18(25-16)27-17-4-2-1-3-15(17)21/h1-10H.
What are the key properties of 2-(2-chlorophenoxy)-6-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
2-(2-chlorophenoxy)-6-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde has a molecular weight of 412.19 g/mol, XLogP of 6.68, 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-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 59584992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).