2-(2-methyl-4-pyridinyl)-3,4-dioxocyclobuten-1-olate

C10H6NO3- — CID 140692212

IUPAC2-(2-methyl-4-pyridinyl)-3,4-dioxocyclobuten-1-olate
SMILESCc1cc(-c2c([O-])c(=O)c2=O)ccn1
InChIInChI=1S/C10H7NO3/c1-5-4-6(2-3-11-5)7-8(12)10(14)9(7)13/h2-4,12H,1H3/p-1
InChIKeyKUNOBQCJIDXQFE-UHFFFAOYSA-M
MW188.16 g/mol
LogP-0.27
Rot. Bonds1

About 2-(2-methyl-4-pyridinyl)-3,4-dioxocyclobuten-1-olate

2-(2-methyl-4-pyridinyl)-3,4-dioxocyclobuten-1-olate (PubChem CID 140692212) has the molecular formula C10H6NO3- and a molecular weight of 188.16 g/mol. Its IUPAC name is 2-(2-methyl-4-pyridinyl)-3,4-dioxocyclobuten-1-olate.

Molecular Properties

Compound Name2-(2-methyl-4-pyridinyl)-3,4-dioxocyclobuten-1-olate
PubChem CID140692212
Molecular FormulaC10H6NO3-
Molecular Weight188.16 g/mol
Exact Mass188.04
IUPAC Name2-(2-methyl-4-pyridinyl)-3,4-dioxocyclobuten-1-olate
SMILESCc1cc(-c2c([O-])c(=O)c2=O)ccn1
InChIInChI=1S/C10H7NO3/c1-5-4-6(2-3-11-5)7-8(12)10(14)9(7)13/h2-4,12H,1H3/p-1
InChIKeyKUNOBQCJIDXQFE-UHFFFAOYSA-M
XLogP-0.27
TPSA70.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-(2,6-dimethylphenyl)-2-methylpyridine
CID 126725908
3-(methylamino)-4-[5-(2-methyl-4-pyridinyl)thiophen-2-yl]cyclobut-3-ene-1,2-dione
CID 126728290
2-methyl-4-nitrosopyridine
CID 88648180
iodomethane;2-methyl-4-phenylpyridine
CID 143719183
6-(2-methyl-4-pyridinyl)-3-nitro-1H-pyridin-2-one
CID 20550316
N-methyl-4-(2-methyl-4-pyridinyl)pyridin-2-amine
CID 130377079
2-methyl-4-(2-methyl-4-pyridinyl)pyrimidine
CID 71302575
2-methyl-3-(2-methyl-4-pyridinyl)benzaldehyde
CID 172651416
5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine
CID 20561075
4-fluoro-2-(2-methyl-4-pyridinyl)pyridine
CID 102824556
5-(2-methyl-4-pyridinyl)-1H-pyrazol-4-amine
CID 154462053
5-(2-methyl-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 20550354

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-pyridinyl)-3,4-dioxocyclobuten-1-olate?
The IUPAC name of 2-(2-methyl-4-pyridinyl)-3,4-dioxocyclobuten-1-olate (CID 140692212) is 2-(2-methyl-4-pyridinyl)-3,4-dioxocyclobuten-1-olate.
What is the SMILES notation for 2-(2-methyl-4-pyridinyl)-3,4-dioxocyclobuten-1-olate?
The canonical SMILES for 2-(2-methyl-4-pyridinyl)-3,4-dioxocyclobuten-1-olate is Cc1cc(-c2c([O-])c(=O)c2=O)ccn1.
What is the InChIKey of 2-(2-methyl-4-pyridinyl)-3,4-dioxocyclobuten-1-olate?
The InChIKey is KUNOBQCJIDXQFE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H7NO3/c1-5-4-6(2-3-11-5)7-8(12)10(14)9(7)13/h2-4,12H,1H3/p-1.
What are the key properties of 2-(2-methyl-4-pyridinyl)-3,4-dioxocyclobuten-1-olate?
2-(2-methyl-4-pyridinyl)-3,4-dioxocyclobuten-1-olate has a molecular weight of 188.16 g/mol, XLogP of -0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-pyridinyl)-3,4-dioxocyclobuten-1-olate is sourced from PubChem (CID 140692212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).