ethyl 3-(6-amino-2-pyridinyl)pyridine-2-carboxylate;hydrochloride

C13H14ClN3O2 — CID 23437677

IUPACethyl 3-(6-amino-2-pyridinyl)pyridine-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1ncccc1-c1cccc(N)n1.Cl
InChIInChI=1S/C13H13N3O2.ClH/c1-2-18-13(17)12-9(5-4-8-15-12)10-6-3-7-11(14)16-10;/h3-8H,2H2,1H3,(H2,14,16);1H
InChIKeyOTXGPBAWGWMQFS-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.32
Rot. Bonds3

About ethyl 3-(6-amino-2-pyridinyl)pyridine-2-carboxylate;hydrochloride

ethyl 3-(6-amino-2-pyridinyl)pyridine-2-carboxylate;hydrochloride (PubChem CID 23437677) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is ethyl 3-(6-amino-2-pyridinyl)pyridine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-(6-amino-2-pyridinyl)pyridine-2-carboxylate;hydrochloride
PubChem CID23437677
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Nameethyl 3-(6-amino-2-pyridinyl)pyridine-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1ncccc1-c1cccc(N)n1.Cl
InChIInChI=1S/C13H13N3O2.ClH/c1-2-18-13(17)12-9(5-4-8-15-12)10-6-3-7-11(14)16-10;/h3-8H,2H2,1H3,(H2,14,16);1H
InChIKeyOTXGPBAWGWMQFS-UHFFFAOYSA-N
XLogP2.32
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(6-amino-2-pyridinyl)-2-fluorobenzoate
CID 140766864
ethyl 3-aminopyridine-2-carboxylate
CID 565054
ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
ethyl 3-(2,3-dimethoxyphenyl)pyridine-2-carboxylate
CID 15681324
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
ethyl 3-pyrazol-1-ylpyridine-2-carboxylate
CID 141444753
ethyl 5-methyl-2-quinolin-8-yl-1,3-thiazole-4-carboxylate
CID 116526054
ethyl 3-amino-4-bromo-1,5-naphthyridine-2-carboxylate
CID 171645238
ethyl 3-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168687501
ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate
CID 14425834
ethyl 3-(cyclopropylmethoxy)pyridine-2-carboxylate
CID 133080995
2-ethoxyethyl 3-aminopyridine-2-carboxylate
CID 115867339

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6-amino-2-pyridinyl)pyridine-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 3-(6-amino-2-pyridinyl)pyridine-2-carboxylate;hydrochloride (CID 23437677) is ethyl 3-(6-amino-2-pyridinyl)pyridine-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 3-(6-amino-2-pyridinyl)pyridine-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 3-(6-amino-2-pyridinyl)pyridine-2-carboxylate;hydrochloride is CCOC(=O)c1ncccc1-c1cccc(N)n1.Cl.
What is the InChIKey of ethyl 3-(6-amino-2-pyridinyl)pyridine-2-carboxylate;hydrochloride?
The InChIKey is OTXGPBAWGWMQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2.ClH/c1-2-18-13(17)12-9(5-4-8-15-12)10-6-3-7-11(14)16-10;/h3-8H,2H2,1H3,(H2,14,16);1H.
What are the key properties of ethyl 3-(6-amino-2-pyridinyl)pyridine-2-carboxylate;hydrochloride?
ethyl 3-(6-amino-2-pyridinyl)pyridine-2-carboxylate;hydrochloride has a molecular weight of 279.73 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(6-amino-2-pyridinyl)pyridine-2-carboxylate;hydrochloride is sourced from PubChem (CID 23437677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).