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

C11H15ClN2O2 — CID 71758500

IUPACmethyl 6-(aminomethyl)-2-cyclopropylpyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(CN)nc1C1CC1.Cl
InChIInChI=1S/C11H14N2O2.ClH/c1-15-11(14)9-5-4-8(6-12)13-10(9)7-2-3-7;/h4-5,7H,2-3,6,12H2,1H3;1H
InChIKeySRRAPTHRFGJCOB-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.63
Rot. Bonds3

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

methyl 6-(aminomethyl)-2-cyclopropylpyridine-3-carboxylate;hydrochloride (PubChem CID 71758500) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is methyl 6-(aminomethyl)-2-cyclopropylpyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 6-(aminomethyl)-2-cyclopropylpyridine-3-carboxylate;hydrochloride
PubChem CID71758500
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Namemethyl 6-(aminomethyl)-2-cyclopropylpyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(CN)nc1C1CC1.Cl
InChIInChI=1S/C11H14N2O2.ClH/c1-15-11(14)9-5-4-8(6-12)13-10(9)7-2-3-7;/h4-5,7H,2-3,6,12H2,1H3;1H
InChIKeySRRAPTHRFGJCOB-UHFFFAOYSA-N
XLogP1.63
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.63
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-cyclopropylpyridine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 6-(aminomethyl)-2-cyclopropylpyridine-3-carboxylate;hydrochloride (CID 71758500) is methyl 6-(aminomethyl)-2-cyclopropylpyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 6-(aminomethyl)-2-cyclopropylpyridine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 6-(aminomethyl)-2-cyclopropylpyridine-3-carboxylate;hydrochloride is COC(=O)c1ccc(CN)nc1C1CC1.Cl.
What is the InChIKey of methyl 6-(aminomethyl)-2-cyclopropylpyridine-3-carboxylate;hydrochloride?
The InChIKey is SRRAPTHRFGJCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2.ClH/c1-15-11(14)9-5-4-8(6-12)13-10(9)7-2-3-7;/h4-5,7H,2-3,6,12H2,1H3;1H.
What are the key properties of methyl 6-(aminomethyl)-2-cyclopropylpyridine-3-carboxylate;hydrochloride?
methyl 6-(aminomethyl)-2-cyclopropylpyridine-3-carboxylate;hydrochloride has a molecular weight of 242.71 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(aminomethyl)-2-cyclopropylpyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 71758500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).