propan-2-yl 6-(aminomethyl)pyridine-2-carboxylate;hydrochloride

C10H15ClN2O2 — CID 135394013

IUPACpropan-2-yl 6-(aminomethyl)pyridine-2-carboxylate;hydrochloride
SMILESCC(C)OC(=O)c1cccc(CN)n1.Cl
InChIInChI=1S/C10H14N2O2.ClH/c1-7(2)14-10(13)9-5-3-4-8(6-11)12-9;/h3-5,7H,6,11H2,1-2H3;1H
InChIKeyIMGPDJPYONLKCP-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.53
Rot. Bonds3

About propan-2-yl 6-(aminomethyl)pyridine-2-carboxylate;hydrochloride

propan-2-yl 6-(aminomethyl)pyridine-2-carboxylate;hydrochloride (PubChem CID 135394013) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is propan-2-yl 6-(aminomethyl)pyridine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl 6-(aminomethyl)pyridine-2-carboxylate;hydrochloride
PubChem CID135394013
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Namepropan-2-yl 6-(aminomethyl)pyridine-2-carboxylate;hydrochloride
SMILESCC(C)OC(=O)c1cccc(CN)n1.Cl
InChIInChI=1S/C10H14N2O2.ClH/c1-7(2)14-10(13)9-5-3-4-8(6-11)12-9;/h3-5,7H,6,11H2,1-2H3;1H
InChIKeyIMGPDJPYONLKCP-UHFFFAOYSA-N
XLogP1.53
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-(aminomethyl)pyridine-2-carboxylate;hydrochloride?
The IUPAC name of propan-2-yl 6-(aminomethyl)pyridine-2-carboxylate;hydrochloride (CID 135394013) is propan-2-yl 6-(aminomethyl)pyridine-2-carboxylate;hydrochloride.
What is the SMILES notation for propan-2-yl 6-(aminomethyl)pyridine-2-carboxylate;hydrochloride?
The canonical SMILES for propan-2-yl 6-(aminomethyl)pyridine-2-carboxylate;hydrochloride is CC(C)OC(=O)c1cccc(CN)n1.Cl.
What is the InChIKey of propan-2-yl 6-(aminomethyl)pyridine-2-carboxylate;hydrochloride?
The InChIKey is IMGPDJPYONLKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.ClH/c1-7(2)14-10(13)9-5-3-4-8(6-11)12-9;/h3-5,7H,6,11H2,1-2H3;1H.
What are the key properties of propan-2-yl 6-(aminomethyl)pyridine-2-carboxylate;hydrochloride?
propan-2-yl 6-(aminomethyl)pyridine-2-carboxylate;hydrochloride has a molecular weight of 230.69 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-(aminomethyl)pyridine-2-carboxylate;hydrochloride is sourced from PubChem (CID 135394013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).