methyl 5-bromo-1-ethyl-2-oxopyridine-3-carboxylate

C9H10BrNO3 — CID 131580077

IUPACmethyl 5-bromo-1-ethyl-2-oxopyridine-3-carboxylate
SMILESCCn1cc(Br)cc(C(=O)OC)c1=O
InChIInChI=1S/C9H10BrNO3/c1-3-11-5-6(10)4-7(8(11)12)9(13)14-2/h4-5H,3H2,1-2H3
InChIKeyDWYVWYONYWUSRP-UHFFFAOYSA-N
MW260.09 g/mol
LogP1.42
Rot. Bonds2

About methyl 5-bromo-1-ethyl-2-oxopyridine-3-carboxylate

methyl 5-bromo-1-ethyl-2-oxopyridine-3-carboxylate (PubChem CID 131580077) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is methyl 5-bromo-1-ethyl-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-1-ethyl-2-oxopyridine-3-carboxylate
PubChem CID131580077
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Namemethyl 5-bromo-1-ethyl-2-oxopyridine-3-carboxylate
SMILESCCn1cc(Br)cc(C(=O)OC)c1=O
InChIInChI=1S/C9H10BrNO3/c1-3-11-5-6(10)4-7(8(11)12)9(13)14-2/h4-5H,3H2,1-2H3
InChIKeyDWYVWYONYWUSRP-UHFFFAOYSA-N
XLogP1.42
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-1-ethyl-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 5-bromo-1-ethyl-2-oxopyridine-3-carboxylate (CID 131580077) is methyl 5-bromo-1-ethyl-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 5-bromo-1-ethyl-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 5-bromo-1-ethyl-2-oxopyridine-3-carboxylate is CCn1cc(Br)cc(C(=O)OC)c1=O.
What is the InChIKey of methyl 5-bromo-1-ethyl-2-oxopyridine-3-carboxylate?
The InChIKey is DWYVWYONYWUSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-3-11-5-6(10)4-7(8(11)12)9(13)14-2/h4-5H,3H2,1-2H3.
What are the key properties of methyl 5-bromo-1-ethyl-2-oxopyridine-3-carboxylate?
methyl 5-bromo-1-ethyl-2-oxopyridine-3-carboxylate has a molecular weight of 260.09 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-1-ethyl-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 131580077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).