6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-5-(4-methylphenyl)pyridine-3-carbonitrile

C26H16Cl2F2N2O — CID 10217488

IUPAC6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-5-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(C#N)c(OCc3ccc(F)c(F)c3)nc2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C26H16Cl2F2N2O/c1-15-2-5-17(6-3-15)21-11-18(13-31)26(33-14-16-4-9-23(29)24(30)10-16)32-25(21)20-8-7-19(27)12-22(20)28/h2-12H,14H2,1H3
InChIKeyTZAHVDWCFRJFHI-UHFFFAOYSA-N
MW481.33 g/mol
LogP7.76
Rot. Bonds5

About 6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-5-(4-methylphenyl)pyridine-3-carbonitrile

6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-5-(4-methylphenyl)pyridine-3-carbonitrile (PubChem CID 10217488) has the molecular formula C26H16Cl2F2N2O and a molecular weight of 481.33 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-5-(4-methylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-5-(4-methylphenyl)pyridine-3-carbonitrile
PubChem CID10217488
Molecular FormulaC26H16Cl2F2N2O
Molecular Weight481.33 g/mol
Exact Mass480.06
IUPAC Name6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-5-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(C#N)c(OCc3ccc(F)c(F)c3)nc2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C26H16Cl2F2N2O/c1-15-2-5-17(6-3-15)21-11-18(13-31)26(33-14-16-4-9-23(29)24(30)10-16)32-25(21)20-8-7-19(27)12-22(20)28/h2-12H,14H2,1H3
InChIKeyTZAHVDWCFRJFHI-UHFFFAOYSA-N
XLogP7.76
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.33
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-5-(4-methylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-5-(4-methylphenyl)pyridine-3-carbonitrile (CID 10217488) is 6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-5-(4-methylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-5-(4-methylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-5-(4-methylphenyl)pyridine-3-carbonitrile is Cc1ccc(-c2cc(C#N)c(OCc3ccc(F)c(F)c3)nc2-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-5-(4-methylphenyl)pyridine-3-carbonitrile?
The InChIKey is TZAHVDWCFRJFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl2F2N2O/c1-15-2-5-17(6-3-15)21-11-18(13-31)26(33-14-16-4-9-23(29)24(30)10-16)32-25(21)20-8-7-19(27)12-22(20)28/h2-12H,14H2,1H3.
What are the key properties of 6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-5-(4-methylphenyl)pyridine-3-carbonitrile?
6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-5-(4-methylphenyl)pyridine-3-carbonitrile has a molecular weight of 481.33 g/mol, XLogP of 7.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-5-(4-methylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 10217488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).