ethyl 6-aminopyridine-2-carboxylate;hydrochloride

C8H11ClN2O2 — CID 23437674

IUPACethyl 6-aminopyridine-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1cccc(N)n1.Cl
InChIInChI=1S/C8H10N2O2.ClH/c1-2-12-8(11)6-4-3-5-7(9)10-6;/h3-5H,2H2,1H3,(H2,9,10);1H
InChIKeyPQXKJNYFTRVYAJ-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.26
Rot. Bonds2

About ethyl 6-aminopyridine-2-carboxylate;hydrochloride

ethyl 6-aminopyridine-2-carboxylate;hydrochloride (PubChem CID 23437674) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is ethyl 6-aminopyridine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 6-aminopyridine-2-carboxylate;hydrochloride
PubChem CID23437674
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Nameethyl 6-aminopyridine-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1cccc(N)n1.Cl
InChIInChI=1S/C8H10N2O2.ClH/c1-2-12-8(11)6-4-3-5-7(9)10-6;/h3-5H,2H2,1H3,(H2,9,10);1H
InChIKeyPQXKJNYFTRVYAJ-UHFFFAOYSA-N
XLogP1.26
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-aminopyridine-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 6-aminopyridine-2-carboxylate;hydrochloride (CID 23437674) is ethyl 6-aminopyridine-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 6-aminopyridine-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 6-aminopyridine-2-carboxylate;hydrochloride is CCOC(=O)c1cccc(N)n1.Cl.
What is the InChIKey of ethyl 6-aminopyridine-2-carboxylate;hydrochloride?
The InChIKey is PQXKJNYFTRVYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.ClH/c1-2-12-8(11)6-4-3-5-7(9)10-6;/h3-5H,2H2,1H3,(H2,9,10);1H.
What are the key properties of ethyl 6-aminopyridine-2-carboxylate;hydrochloride?
ethyl 6-aminopyridine-2-carboxylate;hydrochloride has a molecular weight of 202.64 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-aminopyridine-2-carboxylate;hydrochloride is sourced from PubChem (CID 23437674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).