ethyl 2H-pyridine-1-carboxylate;dihydrochloride

C8H13Cl2NO2 — CID 69183727

IUPACethyl 2H-pyridine-1-carboxylate;dihydrochloride
SMILESCCOC(=O)N1C=CC=CC1.Cl.Cl
InChIInChI=1S/C8H11NO2.2ClH/c1-2-11-8(10)9-6-4-3-5-7-9;;/h3-6H,2,7H2,1H3;2*1H
InChIKeySSBAITLYJQJIFV-UHFFFAOYSA-N
MW226.10 g/mol
LogP2.37
Rot. Bonds1

About ethyl 2H-pyridine-1-carboxylate;dihydrochloride

ethyl 2H-pyridine-1-carboxylate;dihydrochloride (PubChem CID 69183727) has the molecular formula C8H13Cl2NO2 and a molecular weight of 226.10 g/mol. Its IUPAC name is ethyl 2H-pyridine-1-carboxylate;dihydrochloride.

Molecular Properties

Compound Nameethyl 2H-pyridine-1-carboxylate;dihydrochloride
PubChem CID69183727
Molecular FormulaC8H13Cl2NO2
Molecular Weight226.10 g/mol
Exact Mass225.03
IUPAC Nameethyl 2H-pyridine-1-carboxylate;dihydrochloride
SMILESCCOC(=O)N1C=CC=CC1.Cl.Cl
InChIInChI=1S/C8H11NO2.2ClH/c1-2-11-8(10)9-6-4-3-5-7-9;;/h3-6H,2,7H2,1H3;2*1H
InChIKeySSBAITLYJQJIFV-UHFFFAOYSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.10
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2H-pyridine-1-carboxylate;dihydrochloride?
The IUPAC name of ethyl 2H-pyridine-1-carboxylate;dihydrochloride (CID 69183727) is ethyl 2H-pyridine-1-carboxylate;dihydrochloride.
What is the SMILES notation for ethyl 2H-pyridine-1-carboxylate;dihydrochloride?
The canonical SMILES for ethyl 2H-pyridine-1-carboxylate;dihydrochloride is CCOC(=O)N1C=CC=CC1.Cl.Cl.
What is the InChIKey of ethyl 2H-pyridine-1-carboxylate;dihydrochloride?
The InChIKey is SSBAITLYJQJIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.2ClH/c1-2-11-8(10)9-6-4-3-5-7-9;;/h3-6H,2,7H2,1H3;2*1H.
What are the key properties of ethyl 2H-pyridine-1-carboxylate;dihydrochloride?
ethyl 2H-pyridine-1-carboxylate;dihydrochloride has a molecular weight of 226.10 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2H-pyridine-1-carboxylate;dihydrochloride is sourced from PubChem (CID 69183727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).