5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-ylmethoxy)pyridine-3-carbonitrile

C23H17Cl3N2O2 — CID 10310644

IUPAC5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-ylmethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCC1CCOC1
InChIInChI=1S/C23H17Cl3N2O2/c24-17-3-1-15(2-4-17)20-9-16(11-27)23(30-13-14-7-8-29-12-14)28-22(20)19-6-5-18(25)10-21(19)26/h1-6,9-10,14H,7-8,12-13H2
InChIKeyFGRUXAONANJQNR-UHFFFAOYSA-N
MW459.76 g/mol
LogP6.66
Rot. Bonds5

About 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-ylmethoxy)pyridine-3-carbonitrile

5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-ylmethoxy)pyridine-3-carbonitrile (PubChem CID 10310644) has the molecular formula C23H17Cl3N2O2 and a molecular weight of 459.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-ylmethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-ylmethoxy)pyridine-3-carbonitrile
PubChem CID10310644
Molecular FormulaC23H17Cl3N2O2
Molecular Weight459.76 g/mol
Exact Mass458.04
IUPAC Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-ylmethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCC1CCOC1
InChIInChI=1S/C23H17Cl3N2O2/c24-17-3-1-15(2-4-17)20-9-16(11-27)23(30-13-14-7-8-29-12-14)28-22(20)19-6-5-18(25)10-21(19)26/h1-6,9-10,14H,7-8,12-13H2
InChIKeyFGRUXAONANJQNR-UHFFFAOYSA-N
XLogP6.66
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.76
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-ylmethoxy)pyridine-3-carbonitrile with MolForge

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Related Compounds

5-(4-Chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,5-difluorophenoxy)nicotinonitrile
CID 44440991
4-(4-Chlorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile
CID 678564
5-(4-Chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3-fluorophenoxy)nicotinonitrile
CID 10151871
N-(2-(5-(4-chlorophenyl)-3-cyano-6-(2,4-dichlorophenyl)pyridin-2-yloxy)ethyl)cyclobutanecarboxamide
CID 10152346
5-(4-Chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)nicotinonitrile
CID 10174286
2-(Benzyloxy)-6-(4-chlorophenyl)-5-phenylnicotinonitrile
CID 10194245
5-(4-Chlorophenyl)-6-(2,4-dichlorophenyl)-2-(tetrahydrofuran-3-yloxy)nicotinonitrile
CID 10195058
2-(3-Chlorophenoxy)-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)nicotinonitrile
CID 10195715
6-(2,4-Dichlorophenyl)-2-(3,4-difluorobenzyloxy)-5-p-tolylnicotinonitrile
CID 10217488
5-(4-Chlorophenyl)-2-(3,5-dichlorophenoxy)-6-(2,4-dichlorophenyl)nicotinonitrile
CID 10218033
5-(4-Chlorophenyl)-6-(2,4-dichlorophenyl)-2-isopropoxynicotinonitrile
CID 10287827
5-(4-Chlorophenyl)-2-[(3-chlorophenyl)methoxy]-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile
CID 10289123

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-ylmethoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-ylmethoxy)pyridine-3-carbonitrile (CID 10310644) is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-ylmethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-ylmethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-ylmethoxy)pyridine-3-carbonitrile is N#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCC1CCOC1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-ylmethoxy)pyridine-3-carbonitrile?
The InChIKey is FGRUXAONANJQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl3N2O2/c24-17-3-1-15(2-4-17)20-9-16(11-27)23(30-13-14-7-8-29-12-14)28-22(20)19-6-5-18(25)10-21(19)26/h1-6,9-10,14H,7-8,12-13H2.
What are the key properties of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-ylmethoxy)pyridine-3-carbonitrile?
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-ylmethoxy)pyridine-3-carbonitrile has a molecular weight of 459.76 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-ylmethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 10310644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).