5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylic acid

C25H14Cl3F2NO3 — CID 10152588

IUPAC5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C25H14Cl3F2NO3/c26-15-4-2-14(3-5-15)18-11-19(25(32)33)24(34-12-13-1-8-21(29)22(30)9-13)31-23(18)17-7-6-16(27)10-20(17)28/h1-11H,12H2,(H,32,33)
InChIKeyBSNHBQOBCSOTBM-UHFFFAOYSA-N
MW520.75 g/mol
LogP7.93
Rot. Bonds6

About 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylic acid

5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylic acid (PubChem CID 10152588) has the molecular formula C25H14Cl3F2NO3 and a molecular weight of 520.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylic acid
PubChem CID10152588
Molecular FormulaC25H14Cl3F2NO3
Molecular Weight520.75 g/mol
Exact Mass519.00
IUPAC Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C25H14Cl3F2NO3/c26-15-4-2-14(3-5-15)18-11-19(25(32)33)24(34-12-13-1-8-21(29)22(30)9-13)31-23(18)17-7-6-16(27)10-20(17)28/h1-11H,12H2,(H,32,33)
InChIKeyBSNHBQOBCSOTBM-UHFFFAOYSA-N
XLogP7.93
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.75
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylic acid (CID 10152588) is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylic acid is O=C(O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCc1ccc(F)c(F)c1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylic acid?
The InChIKey is BSNHBQOBCSOTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14Cl3F2NO3/c26-15-4-2-14(3-5-15)18-11-19(25(32)33)24(34-12-13-1-8-21(29)22(30)9-13)31-23(18)17-7-6-16(27)10-20(17)28/h1-11H,12H2,(H,32,33).
What are the key properties of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylic acid?
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylic acid has a molecular weight of 520.75 g/mol, XLogP of 7.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 10152588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).