methyl 3-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate

C10H12BrNO4 — CID 156784307

IUPACmethyl 3-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate
SMILESCOC(=O)CCn1cc(OC)c(Br)cc1=O
InChIInChI=1S/C10H12BrNO4/c1-15-8-6-12(4-3-10(14)16-2)9(13)5-7(8)11/h5-6H,3-4H2,1-2H3
InChIKeyKWCCSNHDHNKBEL-UHFFFAOYSA-N
MW290.11 g/mol
LogP1.18
Rot. Bonds4

About methyl 3-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate

methyl 3-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate (PubChem CID 156784307) has the molecular formula C10H12BrNO4 and a molecular weight of 290.11 g/mol. Its IUPAC name is methyl 3-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate
PubChem CID156784307
Molecular FormulaC10H12BrNO4
Molecular Weight290.11 g/mol
Exact Mass288.99
IUPAC Namemethyl 3-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate
SMILESCOC(=O)CCn1cc(OC)c(Br)cc1=O
InChIInChI=1S/C10H12BrNO4/c1-15-8-6-12(4-3-10(14)16-2)9(13)5-7(8)11/h5-6H,3-4H2,1-2H3
InChIKeyKWCCSNHDHNKBEL-UHFFFAOYSA-N
XLogP1.18
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate?
The IUPAC name of methyl 3-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate (CID 156784307) is methyl 3-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate.
What is the SMILES notation for methyl 3-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate?
The canonical SMILES for methyl 3-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate is COC(=O)CCn1cc(OC)c(Br)cc1=O.
What is the InChIKey of methyl 3-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate?
The InChIKey is KWCCSNHDHNKBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO4/c1-15-8-6-12(4-3-10(14)16-2)9(13)5-7(8)11/h5-6H,3-4H2,1-2H3.
What are the key properties of methyl 3-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate?
methyl 3-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate has a molecular weight of 290.11 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate is sourced from PubChem (CID 156784307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).