2-amino-6-[5-(1,3-benzodioxole-5-carbonyl)-2-hydroxyphenyl]pyridine-3-carboxylic acid

C20H14N2O6 — CID 142680281

IUPAC2-amino-6-[5-(1,3-benzodioxole-5-carbonyl)-2-hydroxyphenyl]pyridine-3-carboxylic acid
SMILESNc1nc(-c2cc(C(=O)c3ccc4c(c3)OCO4)ccc2O)ccc1C(=O)O
InChIInChI=1S/C20H14N2O6/c21-19-12(20(25)26)3-4-14(22-19)13-7-10(1-5-15(13)23)18(24)11-2-6-16-17(8-11)28-9-27-16/h1-8,23H,9H2,(H2,21,22)(H,25,26)
InChIKeyMFSFJMALPXNVDF-UHFFFAOYSA-N
MW378.34 g/mol
LogP2.69
Rot. Bonds4

About 2-amino-6-[5-(1,3-benzodioxole-5-carbonyl)-2-hydroxyphenyl]pyridine-3-carboxylic acid

2-amino-6-[5-(1,3-benzodioxole-5-carbonyl)-2-hydroxyphenyl]pyridine-3-carboxylic acid (PubChem CID 142680281) has the molecular formula C20H14N2O6 and a molecular weight of 378.34 g/mol. Its IUPAC name is 2-amino-6-[5-(1,3-benzodioxole-5-carbonyl)-2-hydroxyphenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-[5-(1,3-benzodioxole-5-carbonyl)-2-hydroxyphenyl]pyridine-3-carboxylic acid
PubChem CID142680281
Molecular FormulaC20H14N2O6
Molecular Weight378.34 g/mol
Exact Mass378.09
IUPAC Name2-amino-6-[5-(1,3-benzodioxole-5-carbonyl)-2-hydroxyphenyl]pyridine-3-carboxylic acid
SMILESNc1nc(-c2cc(C(=O)c3ccc4c(c3)OCO4)ccc2O)ccc1C(=O)O
InChIInChI=1S/C20H14N2O6/c21-19-12(20(25)26)3-4-14(22-19)13-7-10(1-5-15(13)23)18(24)11-2-6-16-17(8-11)28-9-27-16/h1-8,23H,9H2,(H2,21,22)(H,25,26)
InChIKeyMFSFJMALPXNVDF-UHFFFAOYSA-N
XLogP2.69
TPSA131.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-amino-6-[5-(1,3-benzodioxole-5-carbonyl)-2-hydroxyphenyl]pyridine-3-carboxylate
CID 142680262
5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxybenzoic acid
CID 16776296
1,3-benzodioxol-5-yl-(4-tert-butylphenyl)methanone
CID 43337774
ethyl 2-amino-6-[5-(3-fluoro-4-methoxybenzoyl)-2-hydroxyphenyl]pyridine-3-carboxylate
CID 142680277
1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43338483
(4-amino-2-methylsulfanyl-1,3-thiazol-5-yl)-(1,3-benzodioxol-5-yl)methanone
CID 126496551
1,3-benzodioxol-5-yl-[4-(dimethylamino)phenyl]methanone
CID 146006397
1,3-benzodioxole-5-carboxamide;benzoic acid
CID 175362662
1,3-benzodioxole-5,6-dicarboxylic acid
CID 610879
1,3-benzodioxol-5-yl-(2,5-difluorophenyl)methanone
CID 43337477
7-(1,3-benzodioxol-5-yl)-3-hydroxynaphthalene-2-carboxylic acid
CID 59122812
CID 59303845
CID 59303845

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[5-(1,3-benzodioxole-5-carbonyl)-2-hydroxyphenyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-6-[5-(1,3-benzodioxole-5-carbonyl)-2-hydroxyphenyl]pyridine-3-carboxylic acid (CID 142680281) is 2-amino-6-[5-(1,3-benzodioxole-5-carbonyl)-2-hydroxyphenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-6-[5-(1,3-benzodioxole-5-carbonyl)-2-hydroxyphenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-6-[5-(1,3-benzodioxole-5-carbonyl)-2-hydroxyphenyl]pyridine-3-carboxylic acid is Nc1nc(-c2cc(C(=O)c3ccc4c(c3)OCO4)ccc2O)ccc1C(=O)O.
What is the InChIKey of 2-amino-6-[5-(1,3-benzodioxole-5-carbonyl)-2-hydroxyphenyl]pyridine-3-carboxylic acid?
The InChIKey is MFSFJMALPXNVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O6/c21-19-12(20(25)26)3-4-14(22-19)13-7-10(1-5-15(13)23)18(24)11-2-6-16-17(8-11)28-9-27-16/h1-8,23H,9H2,(H2,21,22)(H,25,26).
What are the key properties of 2-amino-6-[5-(1,3-benzodioxole-5-carbonyl)-2-hydroxyphenyl]pyridine-3-carboxylic acid?
2-amino-6-[5-(1,3-benzodioxole-5-carbonyl)-2-hydroxyphenyl]pyridine-3-carboxylic acid has a molecular weight of 378.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[5-(1,3-benzodioxole-5-carbonyl)-2-hydroxyphenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 142680281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).