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

C16H15NO4 — CID 116532959

IUPAC6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylpyridine-3-carboxylic acid
SMILESCCc1nc(-c2ccc3c(c2)OCCO3)ccc1C(=O)O
InChIInChI=1S/C16H15NO4/c1-2-12-11(16(18)19)4-5-13(17-12)10-3-6-14-15(9-10)21-8-7-20-14/h3-6,9H,2,7-8H2,1H3,(H,18,19)
InChIKeyMALNNCNSULCKNB-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.78
Rot. Bonds3

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

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylpyridine-3-carboxylic acid (PubChem CID 116532959) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylpyridine-3-carboxylic acid
PubChem CID116532959
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylpyridine-3-carboxylic acid
SMILESCCc1nc(-c2ccc3c(c2)OCCO3)ccc1C(=O)O
InChIInChI=1S/C16H15NO4/c1-2-12-11(16(18)19)4-5-13(17-12)10-3-6-14-15(9-10)21-8-7-20-14/h3-6,9H,2,7-8H2,1H3,(H,18,19)
InChIKeyMALNNCNSULCKNB-UHFFFAOYSA-N
XLogP2.78
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-(4-ethylphenyl)pyridine-3-carboxylic acid
CID 116532989
2-ethyl-6-(4-methyl-3-nitrophenyl)pyridine-3-carboxylic acid
CID 116532972
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035422
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine
CID 90367961
8-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid
CID 4603899
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diethylimidazo[1,2-b][1,2,4]triazine
CID 95833368
6-phenyl-2-propylpyridine-3-carboxylic acid
CID 112693851
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2-oxopyridine-3-carboxylic acid
CID 82099838
2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxylic acid
CID 82089170
4-(difluoromethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-5-carboxylic acid
CID 103198964
4-amino-3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxylic acid
CID 123931312
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-propylpyrazole-5-carboxylic acid
CID 82308463

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylpyridine-3-carboxylic acid?
The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylpyridine-3-carboxylic acid (CID 116532959) is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylpyridine-3-carboxylic acid is CCc1nc(-c2ccc3c(c2)OCCO3)ccc1C(=O)O.
What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylpyridine-3-carboxylic acid?
The InChIKey is MALNNCNSULCKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-2-12-11(16(18)19)4-5-13(17-12)10-3-6-14-15(9-10)21-8-7-20-14/h3-6,9H,2,7-8H2,1H3,(H,18,19).
What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylpyridine-3-carboxylic acid?
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylpyridine-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylpyridine-3-carboxylic acid is sourced from PubChem (CID 116532959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).