ethyl 3-amino-7-bromo-1,6-naphthyridine-2-carboxylate

C11H10BrN3O2 — CID 86726882

IUPACethyl 3-amino-7-bromo-1,6-naphthyridine-2-carboxylate
SMILESCCOC(=O)c1nc2cc(Br)ncc2cc1N
InChIInChI=1S/C11H10BrN3O2/c1-2-17-11(16)10-7(13)3-6-5-14-9(12)4-8(6)15-10/h3-5H,2,13H2,1H3
InChIKeyNYEVOPWEHGCHAD-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.15
Rot. Bonds2

About ethyl 3-amino-7-bromo-1,6-naphthyridine-2-carboxylate

ethyl 3-amino-7-bromo-1,6-naphthyridine-2-carboxylate (PubChem CID 86726882) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is ethyl 3-amino-7-bromo-1,6-naphthyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-7-bromo-1,6-naphthyridine-2-carboxylate
PubChem CID86726882
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Nameethyl 3-amino-7-bromo-1,6-naphthyridine-2-carboxylate
SMILESCCOC(=O)c1nc2cc(Br)ncc2cc1N
InChIInChI=1S/C11H10BrN3O2/c1-2-17-11(16)10-7(13)3-6-5-14-9(12)4-8(6)15-10/h3-5H,2,13H2,1H3
InChIKeyNYEVOPWEHGCHAD-UHFFFAOYSA-N
XLogP2.15
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-7-bromo-1,6-naphthyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-7-bromo-1,6-naphthyridine-2-carboxylate (CID 86726882) is ethyl 3-amino-7-bromo-1,6-naphthyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-7-bromo-1,6-naphthyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-7-bromo-1,6-naphthyridine-2-carboxylate is CCOC(=O)c1nc2cc(Br)ncc2cc1N.
What is the InChIKey of ethyl 3-amino-7-bromo-1,6-naphthyridine-2-carboxylate?
The InChIKey is NYEVOPWEHGCHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c1-2-17-11(16)10-7(13)3-6-5-14-9(12)4-8(6)15-10/h3-5H,2,13H2,1H3.
What are the key properties of ethyl 3-amino-7-bromo-1,6-naphthyridine-2-carboxylate?
ethyl 3-amino-7-bromo-1,6-naphthyridine-2-carboxylate has a molecular weight of 296.12 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-7-bromo-1,6-naphthyridine-2-carboxylate is sourced from PubChem (CID 86726882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).