2-N-(1,3-benzodioxol-5-yl)-6-methoxypyridine-2,3-diamine

C13H13N3O3 — CID 115320313

IUPAC2-N-(1,3-benzodioxol-5-yl)-6-methoxypyridine-2,3-diamine
SMILESCOc1ccc(N)c(Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C13H13N3O3/c1-17-12-5-3-9(14)13(16-12)15-8-2-4-10-11(6-8)19-7-18-10/h2-6H,7,14H2,1H3,(H,15,16)
InChIKeyVKUDFORTLJKVOK-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.14
Rot. Bonds3

About 2-N-(1,3-benzodioxol-5-yl)-6-methoxypyridine-2,3-diamine

2-N-(1,3-benzodioxol-5-yl)-6-methoxypyridine-2,3-diamine (PubChem CID 115320313) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-N-(1,3-benzodioxol-5-yl)-6-methoxypyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(1,3-benzodioxol-5-yl)-6-methoxypyridine-2,3-diamine
PubChem CID115320313
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name2-N-(1,3-benzodioxol-5-yl)-6-methoxypyridine-2,3-diamine
SMILESCOc1ccc(N)c(Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C13H13N3O3/c1-17-12-5-3-9(14)13(16-12)15-8-2-4-10-11(6-8)19-7-18-10/h2-6H,7,14H2,1H3,(H,15,16)
InChIKeyVKUDFORTLJKVOK-UHFFFAOYSA-N
XLogP2.14
TPSA78.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methoxypyridine-2,3-diamine
CID 115320330
2-N-[3-(dimethylamino)phenyl]-6-methoxypyridine-2,3-diamine
CID 115376043
2-N-(3,5-dichlorophenyl)-6-methoxypyridine-2,3-diamine
CID 113286388
4-N,6-N-bis(1,3-benzodioxol-5-yl)pyrimidine-4,5,6-triamine
CID 22542016
6-methoxy-2-N-quinolin-6-ylpyridine-2,3-diamine
CID 115320727
2-N-(2,5-dimethoxyphenyl)-6-methoxypyridine-2,3-diamine
CID 115320342
6-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541790
6-methoxy-2-N-methylpyridine-2,3-diamine;hydrochloride
CID 22731600
5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxylic acid
CID 114405280
4-N-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenoxy)pyrimidine-4,5-diamine
CID 22542231
2-N-(4-bromo-2-chlorophenyl)-6-methoxypyridine-2,3-diamine
CID 115320382
6-methoxy-2-N-(4-methoxy-2-methylphenyl)pyridine-2,3-diamine
CID 115320740

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzodioxol-5-yl)-6-methoxypyridine-2,3-diamine?
The IUPAC name of 2-N-(1,3-benzodioxol-5-yl)-6-methoxypyridine-2,3-diamine (CID 115320313) is 2-N-(1,3-benzodioxol-5-yl)-6-methoxypyridine-2,3-diamine.
What is the SMILES notation for 2-N-(1,3-benzodioxol-5-yl)-6-methoxypyridine-2,3-diamine?
The canonical SMILES for 2-N-(1,3-benzodioxol-5-yl)-6-methoxypyridine-2,3-diamine is COc1ccc(N)c(Nc2ccc3c(c2)OCO3)n1.
What is the InChIKey of 2-N-(1,3-benzodioxol-5-yl)-6-methoxypyridine-2,3-diamine?
The InChIKey is VKUDFORTLJKVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-17-12-5-3-9(14)13(16-12)15-8-2-4-10-11(6-8)19-7-18-10/h2-6H,7,14H2,1H3,(H,15,16).
What are the key properties of 2-N-(1,3-benzodioxol-5-yl)-6-methoxypyridine-2,3-diamine?
2-N-(1,3-benzodioxol-5-yl)-6-methoxypyridine-2,3-diamine has a molecular weight of 259.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-benzodioxol-5-yl)-6-methoxypyridine-2,3-diamine is sourced from PubChem (CID 115320313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).