methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate chloride

C9H11ClNO4- — CID 45108595

IUPACmethyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate chloride
SMILESCOC(=O)COc1c(C)[nH]ccc1=O.[Cl-]
InChIInChI=1S/C9H11NO4.ClH/c1-6-9(7(11)3-4-10-6)14-5-8(12)13-2;/h3-4H,5H2,1-2H3,(H,10,11);1H/p-1
InChIKeyHUXWYIMDLCCNRT-UHFFFAOYSA-M
MW232.64 g/mol
LogP-2.76
Rot. Bonds3

About methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate chloride

methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate chloride (PubChem CID 45108595) has the molecular formula C9H11ClNO4- and a molecular weight of 232.64 g/mol. Its IUPAC name is methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate chloride.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate chloride
PubChem CID45108595
Molecular FormulaC9H11ClNO4-
Molecular Weight232.64 g/mol
Exact Mass232.04
IUPAC Namemethyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate chloride
SMILESCOC(=O)COc1c(C)[nH]ccc1=O.[Cl-]
InChIInChI=1S/C9H11NO4.ClH/c1-6-9(7(11)3-4-10-6)14-5-8(12)13-2;/h3-4H,5H2,1-2H3,(H,10,11);1H/p-1
InChIKeyHUXWYIMDLCCNRT-UHFFFAOYSA-M
XLogP-2.76
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 5-2.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate chloride?
The IUPAC name of methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate chloride (CID 45108595) is methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate chloride.
What is the SMILES notation for methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate chloride?
The canonical SMILES for methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate chloride is COC(=O)COc1c(C)[nH]ccc1=O.[Cl-].
What is the InChIKey of methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate chloride?
The InChIKey is HUXWYIMDLCCNRT-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11NO4.ClH/c1-6-9(7(11)3-4-10-6)14-5-8(12)13-2;/h3-4H,5H2,1-2H3,(H,10,11);1H/p-1.
What are the key properties of methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate chloride?
methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate chloride has a molecular weight of 232.64 g/mol, XLogP of -2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate chloride is sourced from PubChem (CID 45108595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).