methyl 5-(1-aminoethyl)pyridine-2-carboxylate;hydrochloride

C9H13ClN2O2 — CID 175154061

IUPACmethyl 5-(1-aminoethyl)pyridine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(C(C)N)cn1.Cl
InChIInChI=1S/C9H12N2O2.ClH/c1-6(10)7-3-4-8(11-5-7)9(12)13-2;/h3-6H,10H2,1-2H3;1H
InChIKeyOPNRFRKUBDVTSM-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.31
Rot. Bonds2

About methyl 5-(1-aminoethyl)pyridine-2-carboxylate;hydrochloride

methyl 5-(1-aminoethyl)pyridine-2-carboxylate;hydrochloride (PubChem CID 175154061) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is methyl 5-(1-aminoethyl)pyridine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-(1-aminoethyl)pyridine-2-carboxylate;hydrochloride
PubChem CID175154061
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Namemethyl 5-(1-aminoethyl)pyridine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(C(C)N)cn1.Cl
InChIInChI=1S/C9H12N2O2.ClH/c1-6(10)7-3-4-8(11-5-7)9(12)13-2;/h3-6H,10H2,1-2H3;1H
InChIKeyOPNRFRKUBDVTSM-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[(1R)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate
CID 131869040
2-bromo-5-(difluoromethyl)pyridine;methyl 5-(difluoromethyl)pyridine-2-carboxylate
CID 158558358
methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787
methyl 5-(2-cyano-1,2-dihydroxyethyl)pyridine-2-carboxylate
CID 171870683
methanol;methyl 4-[(1S)-1-aminoethyl]benzoate
CID 143623617
methyl 5-bromopyridine-2-carboxylate
CID 7016458
methyl 5-chloropyridine-2-carboxylate
CID 11298216
ethane;methyl 5-bromopyridine-2-carboxylate
CID 143416930
methyl 5-(2,2,2-trifluoro-1-methylsulfonyloxyethyl)pyridine-2-carboxylate
CID 86667925
carbon dioxide;methyl 5-methylpyridine-2-carboxylate
CID 157165111
methyl 5-(hydroxymethyl)pyridine-2-carboxylate
CID 18974051
tert-butyl 5-propan-2-ylpyridine-2-carboxylate
CID 133061148

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-aminoethyl)pyridine-2-carboxylate;hydrochloride?
The IUPAC name of methyl 5-(1-aminoethyl)pyridine-2-carboxylate;hydrochloride (CID 175154061) is methyl 5-(1-aminoethyl)pyridine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-(1-aminoethyl)pyridine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-(1-aminoethyl)pyridine-2-carboxylate;hydrochloride is COC(=O)c1ccc(C(C)N)cn1.Cl.
What is the InChIKey of methyl 5-(1-aminoethyl)pyridine-2-carboxylate;hydrochloride?
The InChIKey is OPNRFRKUBDVTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2.ClH/c1-6(10)7-3-4-8(11-5-7)9(12)13-2;/h3-6H,10H2,1-2H3;1H.
What are the key properties of methyl 5-(1-aminoethyl)pyridine-2-carboxylate;hydrochloride?
methyl 5-(1-aminoethyl)pyridine-2-carboxylate;hydrochloride has a molecular weight of 216.67 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-aminoethyl)pyridine-2-carboxylate;hydrochloride is sourced from PubChem (CID 175154061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).