6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2-oxopyridine-3-carboxylic acid

C15H13NO5 — CID 82099838

IUPAC6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2-oxopyridine-3-carboxylic acid
SMILESCn1c(-c2ccc3c(c2)OCCO3)ccc(C(=O)O)c1=O
InChIInChI=1S/C15H13NO5/c1-16-11(4-3-10(14(16)17)15(18)19)9-2-5-12-13(8-9)21-7-6-20-12/h2-5,8H,6-7H2,1H3,(H,18,19)
InChIKeyCSHWYUQTINTIIG-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.52
Rot. Bonds2

About 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2-oxopyridine-3-carboxylic acid

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 82099838) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID82099838
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2-oxopyridine-3-carboxylic acid
SMILESCn1c(-c2ccc3c(c2)OCCO3)ccc(C(=O)O)c1=O
InChIInChI=1S/C15H13NO5/c1-16-11(4-3-10(14(16)17)15(18)19)9-2-5-12-13(8-9)21-7-6-20-12/h2-5,8H,6-7H2,1H3,(H,18,19)
InChIKeyCSHWYUQTINTIIG-UHFFFAOYSA-N
XLogP1.52
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2-oxopyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrrole-2-carboxylic acid
CID 82089762
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2-oxopyridine-3-carbaldehyde
CID 82517559
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylpyridine-3-carboxylic acid
CID 116532959
1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-3-yl]ethanone
CID 82132469
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-propan-2-ylpyrrole-3-carboxamide
CID 3845012
2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxylic acid
CID 82089170
1-(1,3-benzodioxol-5-yl)-2-oxopyridine-3-carboxylic acid
CID 82121117
1-methyl-6-phenyl-3-(piperazine-1-carbonyl)pyridin-2-one
CID 82521316
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84560633
6-(1,3-benzodioxol-5-yl)-1-cyclopropyl-4-oxopyridine-3-carboxylic acid
CID 13209210
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-1-propylpyrrole-3-carboxamide
CID 3853405
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
CID 3853401

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2-oxopyridine-3-carboxylic acid (CID 82099838) is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2-oxopyridine-3-carboxylic acid is Cn1c(-c2ccc3c(c2)OCCO3)ccc(C(=O)O)c1=O.
What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is CSHWYUQTINTIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-16-11(4-3-10(14(16)17)15(18)19)9-2-5-12-13(8-9)21-7-6-20-12/h2-5,8H,6-7H2,1H3,(H,18,19).
What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2-oxopyridine-3-carboxylic acid?
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 287.27 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82099838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).