5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-phenylpyridine-3-carbonitrile

C19H11ClN2O3 — CID 2368723

IUPAC5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-phenylpyridine-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2ccccc2)c1=O
InChIInChI=1S/C19H11ClN2O3/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/h1-9,11,23H
InChIKeyQJQPWMOWYLGPDT-UHFFFAOYSA-N
MW350.76 g/mol
LogP3.30
Rot. Bonds3

About 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-phenylpyridine-3-carbonitrile

5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-phenylpyridine-3-carbonitrile (PubChem CID 2368723) has the molecular formula C19H11ClN2O3 and a molecular weight of 350.76 g/mol. Its IUPAC name is 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-phenylpyridine-3-carbonitrile
PubChem CID2368723
Molecular FormulaC19H11ClN2O3
Molecular Weight350.76 g/mol
Exact Mass350.05
IUPAC Name5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-phenylpyridine-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2ccccc2)c1=O
InChIInChI=1S/C19H11ClN2O3/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/h1-9,11,23H
InChIKeyQJQPWMOWYLGPDT-UHFFFAOYSA-N
XLogP3.30
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 53.30
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)-2-oxo-1-phenylpyridine-3-carbonitrile?
The IUPAC name of 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-phenylpyridine-3-carbonitrile (CID 2368723) is 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-phenylpyridine-3-carbonitrile?
The canonical SMILES for 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-phenylpyridine-3-carbonitrile is N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2ccccc2)c1=O.
What is the InChIKey of 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-phenylpyridine-3-carbonitrile?
The InChIKey is QJQPWMOWYLGPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN2O3/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/h1-9,11,23H.
What are the key properties of 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-phenylpyridine-3-carbonitrile?
5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-phenylpyridine-3-carbonitrile has a molecular weight of 350.76 g/mol, XLogP of 3.30, 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)-2-oxo-1-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 2368723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).