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

C13H4ClF6N3O — CID 103596169

IUPAC3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)(F)F)cc1-n1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C13H4ClF6N3O/c14-8-1-7(13(18,19)20)5-23(11(8)24)10-2-6(12(15,16)17)4-22-9(10)3-21/h1-2,4-5H
InChIKeyGPDGSZHSOGPOPA-UHFFFAOYSA-N
MW367.64 g/mol
LogP3.80
Rot. Bonds1

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

3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 103596169) has the molecular formula C13H4ClF6N3O and a molecular weight of 367.64 g/mol. Its IUPAC name is 3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID103596169
Molecular FormulaC13H4ClF6N3O
Molecular Weight367.64 g/mol
Exact Mass366.99
IUPAC Name3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)(F)F)cc1-n1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C13H4ClF6N3O/c14-8-1-7(13(18,19)20)5-23(11(8)24)10-2-6(12(15,16)17)4-22-9(10)3-21/h1-2,4-5H
InChIKeyGPDGSZHSOGPOPA-UHFFFAOYSA-N
XLogP3.80
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.64
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carbonitrile (CID 103596169) is 3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1ncc(C(F)(F)F)cc1-n1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of 3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is GPDGSZHSOGPOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4ClF6N3O/c14-8-1-7(13(18,19)20)5-23(11(8)24)10-2-6(12(15,16)17)4-22-9(10)3-21/h1-2,4-5H.
What are the key properties of 3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carbonitrile?
3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 367.64 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 103596169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).