methyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride

C8H11ClN2O2 — CID 66667743

IUPACmethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(CN)nc1.Cl
InChIInChI=1S/C8H10N2O2.ClH/c1-12-8(11)6-2-3-7(4-9)10-5-6;/h2-3,5H,4,9H2,1H3;1H
InChIKeyACICMJBJQPLWKY-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.75
Rot. Bonds2

About methyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride

methyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride (PubChem CID 66667743) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is methyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
PubChem CID66667743
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Namemethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(CN)nc1.Cl
InChIInChI=1S/C8H10N2O2.ClH/c1-12-8(11)6-2-3-7(4-9)10-5-6;/h2-3,5H,4,9H2,1H3;1H
InChIKeyACICMJBJQPLWKY-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride (CID 66667743) is methyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride is COC(=O)c1ccc(CN)nc1.Cl.
What is the InChIKey of methyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride?
The InChIKey is ACICMJBJQPLWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.ClH/c1-12-8(11)6-2-3-7(4-9)10-5-6;/h2-3,5H,4,9H2,1H3;1H.
What are the key properties of methyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride?
methyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride has a molecular weight of 202.64 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 66667743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).