5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

C20H10ClF3N2O3 — CID 2368928

IUPAC5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C20H10ClF3N2O3/c21-14-4-5-17(27)16(8-14)18(28)12-6-11(9-25)19(29)26(10-12)15-3-1-2-13(7-15)20(22,23)24/h1-8,10,27H
InChIKeyYBQSKSGINFPGMO-UHFFFAOYSA-N
MW418.76 g/mol
LogP4.32
Rot. Bonds3

About 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (PubChem CID 2368928) has the molecular formula C20H10ClF3N2O3 and a molecular weight of 418.76 g/mol. Its IUPAC name is 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
PubChem CID2368928
Molecular FormulaC20H10ClF3N2O3
Molecular Weight418.76 g/mol
Exact Mass418.03
IUPAC Name5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C20H10ClF3N2O3/c21-14-4-5-17(27)16(8-14)18(28)12-6-11(9-25)19(29)26(10-12)15-3-1-2-13(7-15)20(22,23)24/h1-8,10,27H
InChIKeyYBQSKSGINFPGMO-UHFFFAOYSA-N
XLogP4.32
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.76
LogP ≤ 54.32
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-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (CID 2368928) is 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The InChIKey is YBQSKSGINFPGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10ClF3N2O3/c21-14-4-5-17(27)16(8-14)18(28)12-6-11(9-25)19(29)26(10-12)15-3-1-2-13(7-15)20(22,23)24/h1-8,10,27H.
What are the key properties of 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile has a molecular weight of 418.76 g/mol, XLogP of 4.32, 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-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 2368928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).