methyl 2-(4-bromo-7-chloro-2,6-naphthyridin-1-yl)propanoate

C12H10BrClN2O2 — CID 166546615

IUPACmethyl 2-(4-bromo-7-chloro-2,6-naphthyridin-1-yl)propanoate
SMILESCOC(=O)C(C)c1ncc(Br)c2cnc(Cl)cc12
InChIInChI=1S/C12H10BrClN2O2/c1-6(12(17)18-2)11-7-3-10(14)15-4-8(7)9(13)5-16-11/h3-6H,1-2H3
InChIKeyODOBLQBANSKXBD-UHFFFAOYSA-N
MW329.58 g/mol
LogP3.32
Rot. Bonds2

About methyl 2-(4-bromo-7-chloro-2,6-naphthyridin-1-yl)propanoate

methyl 2-(4-bromo-7-chloro-2,6-naphthyridin-1-yl)propanoate (PubChem CID 166546615) has the molecular formula C12H10BrClN2O2 and a molecular weight of 329.58 g/mol. Its IUPAC name is methyl 2-(4-bromo-7-chloro-2,6-naphthyridin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(4-bromo-7-chloro-2,6-naphthyridin-1-yl)propanoate
PubChem CID166546615
Molecular FormulaC12H10BrClN2O2
Molecular Weight329.58 g/mol
Exact Mass327.96
IUPAC Namemethyl 2-(4-bromo-7-chloro-2,6-naphthyridin-1-yl)propanoate
SMILESCOC(=O)C(C)c1ncc(Br)c2cnc(Cl)cc12
InChIInChI=1S/C12H10BrClN2O2/c1-6(12(17)18-2)11-7-3-10(14)15-4-8(7)9(13)5-16-11/h3-6H,1-2H3
InChIKeyODOBLQBANSKXBD-UHFFFAOYSA-N
XLogP3.32
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.58
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze methyl 2-(4-bromo-7-chloro-2,6-naphthyridin-1-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromo-7-chloro-2,6-naphthyridin-1-yl)propanoate?
The IUPAC name of methyl 2-(4-bromo-7-chloro-2,6-naphthyridin-1-yl)propanoate (CID 166546615) is methyl 2-(4-bromo-7-chloro-2,6-naphthyridin-1-yl)propanoate.
What is the SMILES notation for methyl 2-(4-bromo-7-chloro-2,6-naphthyridin-1-yl)propanoate?
The canonical SMILES for methyl 2-(4-bromo-7-chloro-2,6-naphthyridin-1-yl)propanoate is COC(=O)C(C)c1ncc(Br)c2cnc(Cl)cc12.
What is the InChIKey of methyl 2-(4-bromo-7-chloro-2,6-naphthyridin-1-yl)propanoate?
The InChIKey is ODOBLQBANSKXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O2/c1-6(12(17)18-2)11-7-3-10(14)15-4-8(7)9(13)5-16-11/h3-6H,1-2H3.
What are the key properties of methyl 2-(4-bromo-7-chloro-2,6-naphthyridin-1-yl)propanoate?
methyl 2-(4-bromo-7-chloro-2,6-naphthyridin-1-yl)propanoate has a molecular weight of 329.58 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromo-7-chloro-2,6-naphthyridin-1-yl)propanoate is sourced from PubChem (CID 166546615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).