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

C25H13Cl3F2N2O — CID 11202865

IUPAC5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C25H13Cl3F2N2O/c26-17-4-2-15(3-5-17)20-10-16(12-31)25(33-13-14-1-8-22(29)23(30)9-14)32-24(20)19-7-6-18(27)11-21(19)28/h1-11H,13H2
InChIKeyXQQYSNIMBGWIEC-UHFFFAOYSA-N
MW501.75 g/mol
LogP8.10
Rot. Bonds5

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

5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carbonitrile (PubChem CID 11202865) has the molecular formula C25H13Cl3F2N2O and a molecular weight of 501.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carbonitrile
PubChem CID11202865
Molecular FormulaC25H13Cl3F2N2O
Molecular Weight501.75 g/mol
Exact Mass500.01
IUPAC Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C25H13Cl3F2N2O/c26-17-4-2-15(3-5-17)20-10-16(12-31)25(33-13-14-1-8-22(29)23(30)9-14)32-24(20)19-7-6-18(27)11-21(19)28/h1-11H,13H2
InChIKeyXQQYSNIMBGWIEC-UHFFFAOYSA-N
XLogP8.10
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.75
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-ethylpyridine-3-carboxamide
CID 10311846
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3-fluorophenoxy)pyridine-3-carbonitrile
CID 10151871
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile
CID 10311022
4-[2-[[3-cyano-6-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pyridinyl]oxy]ethyl]benzamide
CID 90962459
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile
CID 68719045
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile
CID 91428194
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-[(3,4-difluorophenyl)methoxy]-2-pyrrolidin-1-ylpyrimidine
CID 10325170
N-[2-[[5-(4-chlorophenyl)-3-cyano-6-(2,4-dichlorophenyl)-2-pyridinyl]oxy]ethyl]cyclobutanecarboxamide
CID 10152346
[3-chloro-4-[5-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidin-4-yl]phenyl]methanethiol
CID 87730995
4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-6-methoxy-5-[4-(trifluoromethyl)phenyl]pyrimidine
CID 10053040
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methoxy]pyrimidine
CID 59753910
2-chloro-4-[(3,4-difluorophenyl)methoxy]benzonitrile
CID 102674498

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carbonitrile?
The IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carbonitrile (CID 11202865) is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carbonitrile?
The canonical SMILES for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carbonitrile is N#Cc1cc(-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-carbonitrile?
The InChIKey is XQQYSNIMBGWIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H13Cl3F2N2O/c26-17-4-2-15(3-5-17)20-10-16(12-31)25(33-13-14-1-8-22(29)23(30)9-14)32-24(20)19-7-6-18(27)11-21(19)28/h1-11H,13H2.
What are the key properties of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carbonitrile?
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carbonitrile has a molecular weight of 501.75 g/mol, XLogP of 8.10, 5 rotatable bonds, 0 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-carbonitrile is sourced from PubChem (CID 11202865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).