5-(5-chloro-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile

C19H9Cl3N2O3 — CID 4281272

IUPAC5-(5-chloro-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2cc(Cl)cc(Cl)c2)c1=O
InChIInChI=1S/C19H9Cl3N2O3/c20-12-1-2-17(25)16(7-12)18(26)11-3-10(8-23)19(27)24(9-11)15-5-13(21)4-14(22)6-15/h1-7,9,25H
InChIKeyBBGBGVNAGZOTIV-UHFFFAOYSA-N
MW419.65 g/mol
LogP4.61
Rot. Bonds3

About 5-(5-chloro-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile

5-(5-chloro-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 4281272) has the molecular formula C19H9Cl3N2O3 and a molecular weight of 419.65 g/mol. Its IUPAC name is 5-(5-chloro-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(5-chloro-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile
PubChem CID4281272
Molecular FormulaC19H9Cl3N2O3
Molecular Weight419.65 g/mol
Exact Mass417.97
IUPAC Name5-(5-chloro-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2cc(Cl)cc(Cl)c2)c1=O
InChIInChI=1S/C19H9Cl3N2O3/c20-12-1-2-17(25)16(7-12)18(26)11-3-10(8-23)19(27)24(9-11)15-5-13(21)4-14(22)6-15/h1-7,9,25H
InChIKeyBBGBGVNAGZOTIV-UHFFFAOYSA-N
XLogP4.61
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.65
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-(5-chloro-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile (CID 4281272) is 5-(5-chloro-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-(5-chloro-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-(5-chloro-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile is N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2cc(Cl)cc(Cl)c2)c1=O.
What is the InChIKey of 5-(5-chloro-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is BBGBGVNAGZOTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9Cl3N2O3/c20-12-1-2-17(25)16(7-12)18(26)11-3-10(8-23)19(27)24(9-11)15-5-13(21)4-14(22)6-15/h1-7,9,25H.
What are the key properties of 5-(5-chloro-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile?
5-(5-chloro-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 419.65 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 4281272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).