ethyl 2,6-diaminopyridine-3-carboxylate

C8H11N3O2 — CID 58784252

IUPACethyl 2,6-diaminopyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N)nc1N
InChIInChI=1S/C8H11N3O2/c1-2-13-8(12)5-3-4-6(9)11-7(5)10/h3-4H,2H2,1H3,(H4,9,10,11)
InChIKeyOKIQORABWAQGMT-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.42
Rot. Bonds2

About ethyl 2,6-diaminopyridine-3-carboxylate

ethyl 2,6-diaminopyridine-3-carboxylate (PubChem CID 58784252) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethyl 2,6-diaminopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-diaminopyridine-3-carboxylate
PubChem CID58784252
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Nameethyl 2,6-diaminopyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N)nc1N
InChIInChI=1S/C8H11N3O2/c1-2-13-8(12)5-3-4-6(9)11-7(5)10/h3-4H,2H2,1H3,(H4,9,10,11)
InChIKeyOKIQORABWAQGMT-UHFFFAOYSA-N
XLogP0.42
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-amino-2-fluoropyridine-3-carboxylate
CID 118545226
ethyl 2-amino-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 171028932
ethyl 2-amino-6-phenylpyridine-3-carboxylate
CID 1236695
ethyl 4-amino-2-(1-ethoxy-1-oxopropan-2-yl)sulfanylpyrimidine-5-carboxylate
CID 78987540
(2S)-2-(4-amino-5-ethoxycarbonylpyrimidin-2-yl)sulfanylpropanoic acid
CID 864485
ethyl 5,6-diamino-2-methylpyridine-3-carboxylate
CID 170959467
ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646909
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 4-amino-2-(2-phenylethylsulfanyl)pyrimidine-5-carboxylate
CID 864377
ethyl 4-amino-2-[2-(methoxycarbonylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
CID 78906305
ethyl 4-amino-2-(2-ethylbutylsulfanyl)pyrimidine-5-carboxylate
CID 82928927
ethyl 4-amino-2,3-dihydroxybenzoate
CID 174666783

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-diaminopyridine-3-carboxylate?
The IUPAC name of ethyl 2,6-diaminopyridine-3-carboxylate (CID 58784252) is ethyl 2,6-diaminopyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,6-diaminopyridine-3-carboxylate?
The canonical SMILES for ethyl 2,6-diaminopyridine-3-carboxylate is CCOC(=O)c1ccc(N)nc1N.
What is the InChIKey of ethyl 2,6-diaminopyridine-3-carboxylate?
The InChIKey is OKIQORABWAQGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-2-13-8(12)5-3-4-6(9)11-7(5)10/h3-4H,2H2,1H3,(H4,9,10,11).
What are the key properties of ethyl 2,6-diaminopyridine-3-carboxylate?
ethyl 2,6-diaminopyridine-3-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-diaminopyridine-3-carboxylate is sourced from PubChem (CID 58784252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).