ethyl 1-bromo-2,7-naphthyridine-3-carboxylate

C11H9BrN2O2 — CID 71748439

IUPACethyl 1-bromo-2,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2ccncc2c(Br)n1
InChIInChI=1S/C11H9BrN2O2/c1-2-16-11(15)9-5-7-3-4-13-6-8(7)10(12)14-9/h3-6H,2H2,1H3
InChIKeyPWMBDHCPLLGYSW-UHFFFAOYSA-N
MW281.11 g/mol
LogP2.57
Rot. Bonds2

About ethyl 1-bromo-2,7-naphthyridine-3-carboxylate

ethyl 1-bromo-2,7-naphthyridine-3-carboxylate (PubChem CID 71748439) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is ethyl 1-bromo-2,7-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-bromo-2,7-naphthyridine-3-carboxylate
PubChem CID71748439
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Nameethyl 1-bromo-2,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2ccncc2c(Br)n1
InChIInChI=1S/C11H9BrN2O2/c1-2-16-11(15)9-5-7-3-4-13-6-8(7)10(12)14-9/h3-6H,2H2,1H3
InChIKeyPWMBDHCPLLGYSW-UHFFFAOYSA-N
XLogP2.57
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 1-bromo-2,7-naphthyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 1-chloro-2,6-naphthyridine-3-carboxylate
CID 166806607
ethyl 8-hydroxyisoquinoline-6-carboxylate
CID 137117771
ethyl 6-bromo-5-hydroxypyridine-2-carboxylate
CID 117272848
ethyl 6-bromo-5-chloropyridine-2-carboxylate
CID 46311447
ethyl 5-bromo-6-oxo-1H-pyrazine-3-carboxylate
CID 117272850
8-ethyl-6-methylisoquinoline
CID 130267098
ethyl pyrazine-2-carboxylate;dihydrochloride
CID 141471889
ethyl 5-(aminomethyl)-6-bromo-4-(difluoromethyl)pyridine-2-carboxylate
CID 134675985
diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride
CID 137333254
ethyl 6-bromopyridine-2-carboxylate
CID 2758810
ethyl 2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylate
CID 114204873
ethyl 1-amino-2,7-naphthyridine-4-carboxylate
CID 73425222

Frequently Asked Questions

What is the IUPAC name of ethyl 1-bromo-2,7-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1-bromo-2,7-naphthyridine-3-carboxylate (CID 71748439) is ethyl 1-bromo-2,7-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-bromo-2,7-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1-bromo-2,7-naphthyridine-3-carboxylate is CCOC(=O)c1cc2ccncc2c(Br)n1.
What is the InChIKey of ethyl 1-bromo-2,7-naphthyridine-3-carboxylate?
The InChIKey is PWMBDHCPLLGYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c1-2-16-11(15)9-5-7-3-4-13-6-8(7)10(12)14-9/h3-6H,2H2,1H3.
What are the key properties of ethyl 1-bromo-2,7-naphthyridine-3-carboxylate?
ethyl 1-bromo-2,7-naphthyridine-3-carboxylate has a molecular weight of 281.11 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-bromo-2,7-naphthyridine-3-carboxylate is sourced from PubChem (CID 71748439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).