methyl 2-oxo-1H-pyridine-4-carboxylate;hydrochloride

C7H8ClNO3 — CID 138991491

IUPACmethyl 2-oxo-1H-pyridine-4-carboxylate;hydrochloride
SMILESCOC(=O)c1cc[nH]c(=O)c1.Cl
InChIInChI=1S/C7H7NO3.ClH/c1-11-7(10)5-2-3-8-6(9)4-5;/h2-4H,1H3,(H,8,9);1H
InChIKeyLTPHDQOAEFOAES-UHFFFAOYSA-N
MW189.60 g/mol
LogP0.58
Rot. Bonds1

About methyl 2-oxo-1H-pyridine-4-carboxylate;hydrochloride

methyl 2-oxo-1H-pyridine-4-carboxylate;hydrochloride (PubChem CID 138991491) has the molecular formula C7H8ClNO3 and a molecular weight of 189.60 g/mol. Its IUPAC name is methyl 2-oxo-1H-pyridine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-oxo-1H-pyridine-4-carboxylate;hydrochloride
PubChem CID138991491
Molecular FormulaC7H8ClNO3
Molecular Weight189.60 g/mol
Exact Mass189.02
IUPAC Namemethyl 2-oxo-1H-pyridine-4-carboxylate;hydrochloride
SMILESCOC(=O)c1cc[nH]c(=O)c1.Cl
InChIInChI=1S/C7H7NO3.ClH/c1-11-7(10)5-2-3-8-6(9)4-5;/h2-4H,1H3,(H,8,9);1H
InChIKeyLTPHDQOAEFOAES-UHFFFAOYSA-N
XLogP0.58
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-1H-pyridine-4-carboxylate;hydrochloride?
The IUPAC name of methyl 2-oxo-1H-pyridine-4-carboxylate;hydrochloride (CID 138991491) is methyl 2-oxo-1H-pyridine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-oxo-1H-pyridine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-oxo-1H-pyridine-4-carboxylate;hydrochloride is COC(=O)c1cc[nH]c(=O)c1.Cl.
What is the InChIKey of methyl 2-oxo-1H-pyridine-4-carboxylate;hydrochloride?
The InChIKey is LTPHDQOAEFOAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3.ClH/c1-11-7(10)5-2-3-8-6(9)4-5;/h2-4H,1H3,(H,8,9);1H.
What are the key properties of methyl 2-oxo-1H-pyridine-4-carboxylate;hydrochloride?
methyl 2-oxo-1H-pyridine-4-carboxylate;hydrochloride has a molecular weight of 189.60 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-1H-pyridine-4-carboxylate;hydrochloride is sourced from PubChem (CID 138991491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).