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

C9H13ClN2O2 — CID 57360953

IUPACethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc(CN)nc1.Cl
InChIInChI=1S/C9H12N2O2.ClH/c1-2-13-9(12)7-3-4-8(5-10)11-6-7;/h3-4,6H,2,5,10H2,1H3;1H
InChIKeyMJACJEKUVRQBHU-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.14
Rot. Bonds3

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

ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride (PubChem CID 57360953) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
PubChem CID57360953
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Nameethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc(CN)nc1.Cl
InChIInChI=1S/C9H12N2O2.ClH/c1-2-13-9(12)7-3-4-8(5-10)11-6-7;/h3-4,6H,2,5,10H2,1H3;1H
InChIKeyMJACJEKUVRQBHU-UHFFFAOYSA-N
XLogP1.14
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-[(carbamoylamino)methyl]pyridine-3-carboxylate
CID 178112074
ethyl 6-(methylsulfonyloxymethyl)pyridine-3-carboxylate
CID 10988996
ethyl 6-(azidomethyl)pyridine-3-carboxylate
CID 118667100
6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride
CID 71741681
ethyl 6-butan-2-ylpyridine-3-carboxylate
CID 143474264
ethyl 6-(2,2-diphenylethenoxymethyl)pyridine-3-carboxylate
CID 11371814
ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
CID 106485599
ethyl 6-[(2-ethoxy-2-oxoethyl)-ethylamino]pyridine-3-carboxylate
CID 62007392
ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxylate
CID 61145395
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate
CID 152564133
ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate
CID 118366162

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride (CID 57360953) is ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride is CCOC(=O)c1ccc(CN)nc1.Cl.
What is the InChIKey of ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride?
The InChIKey is MJACJEKUVRQBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2.ClH/c1-2-13-9(12)7-3-4-8(5-10)11-6-7;/h3-4,6H,2,5,10H2,1H3;1H.
What are the key properties of ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride?
ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride has a molecular weight of 216.67 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 57360953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).