methyl 6-(aminomethyl)-2-methylpyridine-3-carboxylate;hydrochloride

C9H13ClN2O2 — CID 178200077

IUPACmethyl 6-(aminomethyl)-2-methylpyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(CN)nc1C.Cl
InChIInChI=1S/C9H12N2O2.ClH/c1-6-8(9(12)13-2)4-3-7(5-10)11-6;/h3-4H,5,10H2,1-2H3;1H
InChIKeyNGRAUQNQVUBUSJ-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.06
Rot. Bonds2

About methyl 6-(aminomethyl)-2-methylpyridine-3-carboxylate;hydrochloride

methyl 6-(aminomethyl)-2-methylpyridine-3-carboxylate;hydrochloride (PubChem CID 178200077) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is methyl 6-(aminomethyl)-2-methylpyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 6-(aminomethyl)-2-methylpyridine-3-carboxylate;hydrochloride
PubChem CID178200077
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Namemethyl 6-(aminomethyl)-2-methylpyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(CN)nc1C.Cl
InChIInChI=1S/C9H12N2O2.ClH/c1-6-8(9(12)13-2)4-3-7(5-10)11-6;/h3-4H,5,10H2,1-2H3;1H
InChIKeyNGRAUQNQVUBUSJ-UHFFFAOYSA-N
XLogP1.06
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(aminomethyl)-2-methylpyridine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 6-(aminomethyl)-2-methylpyridine-3-carboxylate;hydrochloride (CID 178200077) is methyl 6-(aminomethyl)-2-methylpyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 6-(aminomethyl)-2-methylpyridine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 6-(aminomethyl)-2-methylpyridine-3-carboxylate;hydrochloride is COC(=O)c1ccc(CN)nc1C.Cl.
What is the InChIKey of methyl 6-(aminomethyl)-2-methylpyridine-3-carboxylate;hydrochloride?
The InChIKey is NGRAUQNQVUBUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2.ClH/c1-6-8(9(12)13-2)4-3-7(5-10)11-6;/h3-4H,5,10H2,1-2H3;1H.
What are the key properties of methyl 6-(aminomethyl)-2-methylpyridine-3-carboxylate;hydrochloride?
methyl 6-(aminomethyl)-2-methylpyridine-3-carboxylate;hydrochloride has a molecular weight of 216.67 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(aminomethyl)-2-methylpyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 178200077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).