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

C10H12BrNO4 — CID 135209210

IUPACmethyl 2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate
SMILESCOC(=O)C(C)n1cc(OC)c(Br)cc1=O
InChIInChI=1S/C10H12BrNO4/c1-6(10(14)16-3)12-5-8(15-2)7(11)4-9(12)13/h4-6H,1-3H3
InChIKeyDLANNECCGALYDP-UHFFFAOYSA-N
MW290.11 g/mol
LogP1.35
Rot. Bonds3

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

methyl 2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate (PubChem CID 135209210) has the molecular formula C10H12BrNO4 and a molecular weight of 290.11 g/mol. Its IUPAC name is methyl 2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate
PubChem CID135209210
Molecular FormulaC10H12BrNO4
Molecular Weight290.11 g/mol
Exact Mass288.99
IUPAC Namemethyl 2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate
SMILESCOC(=O)C(C)n1cc(OC)c(Br)cc1=O
InChIInChI=1S/C10H12BrNO4/c1-6(10(14)16-3)12-5-8(15-2)7(11)4-9(12)13/h4-6H,1-3H3
InChIKeyDLANNECCGALYDP-UHFFFAOYSA-N
XLogP1.35
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate?
The IUPAC name of methyl 2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate (CID 135209210) is methyl 2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate.
What is the SMILES notation for methyl 2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate?
The canonical SMILES for methyl 2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate is COC(=O)C(C)n1cc(OC)c(Br)cc1=O.
What is the InChIKey of methyl 2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate?
The InChIKey is DLANNECCGALYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO4/c1-6(10(14)16-3)12-5-8(15-2)7(11)4-9(12)13/h4-6H,1-3H3.
What are the key properties of methyl 2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate?
methyl 2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate has a molecular weight of 290.11 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate is sourced from PubChem (CID 135209210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).