ethyl 5-(5-amino-2-pyridinyl)pyridine-3-carboxylate;hydrochloride

C13H14ClN3O2 — CID 139271487

IUPACethyl 5-(5-amino-2-pyridinyl)pyridine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cncc(-c2ccc(N)cn2)c1.Cl
InChIInChI=1S/C13H13N3O2.ClH/c1-2-18-13(17)10-5-9(6-15-7-10)12-4-3-11(14)8-16-12;/h3-8H,2,14H2,1H3;1H
InChIKeyKBSFIRHJWPLVRH-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.32
Rot. Bonds3

About ethyl 5-(5-amino-2-pyridinyl)pyridine-3-carboxylate;hydrochloride

ethyl 5-(5-amino-2-pyridinyl)pyridine-3-carboxylate;hydrochloride (PubChem CID 139271487) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is ethyl 5-(5-amino-2-pyridinyl)pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-(5-amino-2-pyridinyl)pyridine-3-carboxylate;hydrochloride
PubChem CID139271487
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Nameethyl 5-(5-amino-2-pyridinyl)pyridine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cncc(-c2ccc(N)cn2)c1.Cl
InChIInChI=1S/C13H13N3O2.ClH/c1-2-18-13(17)10-5-9(6-15-7-10)12-4-3-11(14)8-16-12;/h3-8H,2,14H2,1H3;1H
InChIKeyKBSFIRHJWPLVRH-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

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ethyl 4-(5-hydroxy-2-pyridinyl)benzoate
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ethane;ethyl 5-ethylpyridine-3-carboxylate
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ethyl 5-(chloromethyl)pyridine-3-carboxylate;hydrochloride
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ethyl 5-(4-cyano-3-hydroxyphenyl)pyridine-3-carboxylate
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ethyl 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)pyridine-3-carboxylate
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ethyl 5-(2-methylbutan-2-yl)pyridine-3-carboxylate
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ethyl 4-aminobenzoate
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CID 10491979

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-amino-2-pyridinyl)pyridine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 5-(5-amino-2-pyridinyl)pyridine-3-carboxylate;hydrochloride (CID 139271487) is ethyl 5-(5-amino-2-pyridinyl)pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 5-(5-amino-2-pyridinyl)pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 5-(5-amino-2-pyridinyl)pyridine-3-carboxylate;hydrochloride is CCOC(=O)c1cncc(-c2ccc(N)cn2)c1.Cl.
What is the InChIKey of ethyl 5-(5-amino-2-pyridinyl)pyridine-3-carboxylate;hydrochloride?
The InChIKey is KBSFIRHJWPLVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2.ClH/c1-2-18-13(17)10-5-9(6-15-7-10)12-4-3-11(14)8-16-12;/h3-8H,2,14H2,1H3;1H.
What are the key properties of ethyl 5-(5-amino-2-pyridinyl)pyridine-3-carboxylate;hydrochloride?
ethyl 5-(5-amino-2-pyridinyl)pyridine-3-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 5-(5-amino-2-pyridinyl)pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 139271487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).