ethyl pyridine-3-carboxylate;dihydrochloride

C8H11Cl2NO2 — CID 141150900

IUPACethyl pyridine-3-carboxylate;dihydrochloride
SMILESCCOC(=O)c1cccnc1.Cl.Cl
InChIInChI=1S/C8H9NO2.2ClH/c1-2-11-8(10)7-4-3-5-9-6-7;;/h3-6H,2H2,1H3;2*1H
InChIKeyFEQLJMJMVDEWEG-UHFFFAOYSA-N
MW224.09 g/mol
LogP2.10
Rot. Bonds2

About ethyl pyridine-3-carboxylate;dihydrochloride

ethyl pyridine-3-carboxylate;dihydrochloride (PubChem CID 141150900) has the molecular formula C8H11Cl2NO2 and a molecular weight of 224.09 g/mol. Its IUPAC name is ethyl pyridine-3-carboxylate;dihydrochloride.

Molecular Properties

Compound Nameethyl pyridine-3-carboxylate;dihydrochloride
PubChem CID141150900
Molecular FormulaC8H11Cl2NO2
Molecular Weight224.09 g/mol
Exact Mass223.02
IUPAC Nameethyl pyridine-3-carboxylate;dihydrochloride
SMILESCCOC(=O)c1cccnc1.Cl.Cl
InChIInChI=1S/C8H9NO2.2ClH/c1-2-11-8(10)7-4-3-5-9-6-7;;/h3-6H,2H2,1H3;2*1H
InChIKeyFEQLJMJMVDEWEG-UHFFFAOYSA-N
XLogP2.10
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.09
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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benzyl pyridine-3-carboxylate;ethyl 2-aminobenzoate
CID 157354656
ethyl 6-pyridin-3-yloxypyridine-3-carboxylate
CID 23149048
ethyl 4-[4-(pyridine-3-carbonylamino)anilino]benzoate
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(111C)methyl pyridine-3-carboxylate
CID 11309537

Frequently Asked Questions

What is the IUPAC name of ethyl pyridine-3-carboxylate;dihydrochloride?
The IUPAC name of ethyl pyridine-3-carboxylate;dihydrochloride (CID 141150900) is ethyl pyridine-3-carboxylate;dihydrochloride.
What is the SMILES notation for ethyl pyridine-3-carboxylate;dihydrochloride?
The canonical SMILES for ethyl pyridine-3-carboxylate;dihydrochloride is CCOC(=O)c1cccnc1.Cl.Cl.
What is the InChIKey of ethyl pyridine-3-carboxylate;dihydrochloride?
The InChIKey is FEQLJMJMVDEWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.2ClH/c1-2-11-8(10)7-4-3-5-9-6-7;;/h3-6H,2H2,1H3;2*1H.
What are the key properties of ethyl pyridine-3-carboxylate;dihydrochloride?
ethyl pyridine-3-carboxylate;dihydrochloride has a molecular weight of 224.09 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl pyridine-3-carboxylate;dihydrochloride is sourced from PubChem (CID 141150900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).