methyl 5,6-diaminopyridine-2-carboxylate;hydrochloride

C7H10ClN3O2 — CID 91654429

IUPACmethyl 5,6-diaminopyridine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(N)c(N)n1.Cl
InChIInChI=1S/C7H9N3O2.ClH/c1-12-7(11)5-3-2-4(8)6(9)10-5;/h2-3H,8H2,1H3,(H2,9,10);1H
InChIKeyXQHSLNXWQWZVDS-UHFFFAOYSA-N
MW203.63 g/mol
LogP0.45
Rot. Bonds1

About methyl 5,6-diaminopyridine-2-carboxylate;hydrochloride

methyl 5,6-diaminopyridine-2-carboxylate;hydrochloride (PubChem CID 91654429) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is methyl 5,6-diaminopyridine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5,6-diaminopyridine-2-carboxylate;hydrochloride
PubChem CID91654429
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Namemethyl 5,6-diaminopyridine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(N)c(N)n1.Cl
InChIInChI=1S/C7H9N3O2.ClH/c1-12-7(11)5-3-2-4(8)6(9)10-5;/h2-3H,8H2,1H3,(H2,9,10);1H
InChIKeyXQHSLNXWQWZVDS-UHFFFAOYSA-N
XLogP0.45
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5,6-diaminopyridine-2-carboxylate;hydrochloride?
The IUPAC name of methyl 5,6-diaminopyridine-2-carboxylate;hydrochloride (CID 91654429) is methyl 5,6-diaminopyridine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5,6-diaminopyridine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 5,6-diaminopyridine-2-carboxylate;hydrochloride is COC(=O)c1ccc(N)c(N)n1.Cl.
What is the InChIKey of methyl 5,6-diaminopyridine-2-carboxylate;hydrochloride?
The InChIKey is XQHSLNXWQWZVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2.ClH/c1-12-7(11)5-3-2-4(8)6(9)10-5;/h2-3H,8H2,1H3,(H2,9,10);1H.
What are the key properties of methyl 5,6-diaminopyridine-2-carboxylate;hydrochloride?
methyl 5,6-diaminopyridine-2-carboxylate;hydrochloride has a molecular weight of 203.63 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6-diaminopyridine-2-carboxylate;hydrochloride is sourced from PubChem (CID 91654429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).