5-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)pyridine-3-carboxylic acid

C15H13NO5 — CID 63850335

IUPAC5-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCC2COc3ccccc3O2)c1
InChIInChI=1S/C15H13NO5/c17-15(18)10-5-11(7-16-6-10)19-8-12-9-20-13-3-1-2-4-14(13)21-12/h1-7,12H,8-9H2,(H,17,18)
InChIKeyDEJNAKYPBCSFPG-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.00
Rot. Bonds4

About 5-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)pyridine-3-carboxylic acid

5-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)pyridine-3-carboxylic acid (PubChem CID 63850335) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)pyridine-3-carboxylic acid
PubChem CID63850335
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCC2COc3ccccc3O2)c1
InChIInChI=1S/C15H13NO5/c17-15(18)10-5-11(7-16-6-10)19-8-12-9-20-13-3-1-2-4-14(13)21-12/h1-7,12H,8-9H2,(H,17,18)
InChIKeyDEJNAKYPBCSFPG-UHFFFAOYSA-N
XLogP2.00
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)pyridine-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

2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)benzoic acid
CID 43214838
3-[(3-methylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxine
CID 46849851
2,3-dihydro-1,4-benzodioxin-3-ylmethyl acetate
CID 3744758
N-[[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 42562016
4-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)butanoic acid
CID 84617965
5-(cyclopropylmethoxymethoxy)pyridine-3-carboxylic acid
CID 106929024
3-[6-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]propanoic acid
CID 66655777
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzoate
CID 2318276
5-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 125149975
5-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid
CID 63852379
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 38211752
2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
CID 43026675

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)pyridine-3-carboxylic acid (CID 63850335) is 5-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)pyridine-3-carboxylic acid is O=C(O)c1cncc(OCC2COc3ccccc3O2)c1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)pyridine-3-carboxylic acid?
The InChIKey is DEJNAKYPBCSFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c17-15(18)10-5-11(7-16-6-10)19-8-12-9-20-13-3-1-2-4-14(13)21-12/h1-7,12H,8-9H2,(H,17,18).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)pyridine-3-carboxylic acid?
5-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)pyridine-3-carboxylic acid has a molecular weight of 287.27 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 63850335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).