5-(5-bromo-2-hydroxybenzoyl)-1-cyclohexyl-2-oxopyridine-3-carbonitrile

C19H17BrN2O3 — CID 5022519

IUPAC5-(5-bromo-2-hydroxybenzoyl)-1-cyclohexyl-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2cc(Br)ccc2O)cn(C2CCCCC2)c1=O
InChIInChI=1S/C19H17BrN2O3/c20-14-6-7-17(23)16(9-14)18(24)13-8-12(10-21)19(25)22(11-13)15-4-2-1-3-5-15/h6-9,11,15,23H,1-5H2
InChIKeyWTAVOSVJMMSCTR-UHFFFAOYSA-N
MW401.26 g/mol
LogP3.92
Rot. Bonds3

About 5-(5-bromo-2-hydroxybenzoyl)-1-cyclohexyl-2-oxopyridine-3-carbonitrile

5-(5-bromo-2-hydroxybenzoyl)-1-cyclohexyl-2-oxopyridine-3-carbonitrile (PubChem CID 5022519) has the molecular formula C19H17BrN2O3 and a molecular weight of 401.26 g/mol. Its IUPAC name is 5-(5-bromo-2-hydroxybenzoyl)-1-cyclohexyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(5-bromo-2-hydroxybenzoyl)-1-cyclohexyl-2-oxopyridine-3-carbonitrile
PubChem CID5022519
Molecular FormulaC19H17BrN2O3
Molecular Weight401.26 g/mol
Exact Mass400.04
IUPAC Name5-(5-bromo-2-hydroxybenzoyl)-1-cyclohexyl-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2cc(Br)ccc2O)cn(C2CCCCC2)c1=O
InChIInChI=1S/C19H17BrN2O3/c20-14-6-7-17(23)16(9-14)18(24)13-8-12(10-21)19(25)22(11-13)15-4-2-1-3-5-15/h6-9,11,15,23H,1-5H2
InChIKeyWTAVOSVJMMSCTR-UHFFFAOYSA-N
XLogP3.92
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-hydroxybenzoyl)-1-cyclohexyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-(5-bromo-2-hydroxybenzoyl)-1-cyclohexyl-2-oxopyridine-3-carbonitrile (CID 5022519) is 5-(5-bromo-2-hydroxybenzoyl)-1-cyclohexyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-(5-bromo-2-hydroxybenzoyl)-1-cyclohexyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-(5-bromo-2-hydroxybenzoyl)-1-cyclohexyl-2-oxopyridine-3-carbonitrile is N#Cc1cc(C(=O)c2cc(Br)ccc2O)cn(C2CCCCC2)c1=O.
What is the InChIKey of 5-(5-bromo-2-hydroxybenzoyl)-1-cyclohexyl-2-oxopyridine-3-carbonitrile?
The InChIKey is WTAVOSVJMMSCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3/c20-14-6-7-17(23)16(9-14)18(24)13-8-12(10-21)19(25)22(11-13)15-4-2-1-3-5-15/h6-9,11,15,23H,1-5H2.
What are the key properties of 5-(5-bromo-2-hydroxybenzoyl)-1-cyclohexyl-2-oxopyridine-3-carbonitrile?
5-(5-bromo-2-hydroxybenzoyl)-1-cyclohexyl-2-oxopyridine-3-carbonitrile has a molecular weight of 401.26 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-hydroxybenzoyl)-1-cyclohexyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 5022519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).