3-bromo-6-methoxy-4-nitroso-1,7-naphthyridine

C9H6BrN3O2 — CID 138463649

IUPAC3-bromo-6-methoxy-4-nitroso-1,7-naphthyridine
SMILESCOc1cc2c(N=O)c(Br)cnc2cn1
InChIInChI=1S/C9H6BrN3O2/c1-15-8-2-5-7(4-12-8)11-3-6(10)9(5)13-14/h2-4H,1H3
InChIKeyVZQMULMGXUFSNQ-UHFFFAOYSA-N
MW268.07 g/mol
LogP2.80
Rot. Bonds2

About 3-bromo-6-methoxy-4-nitroso-1,7-naphthyridine

3-bromo-6-methoxy-4-nitroso-1,7-naphthyridine (PubChem CID 138463649) has the molecular formula C9H6BrN3O2 and a molecular weight of 268.07 g/mol. Its IUPAC name is 3-bromo-6-methoxy-4-nitroso-1,7-naphthyridine.

Molecular Properties

Compound Name3-bromo-6-methoxy-4-nitroso-1,7-naphthyridine
PubChem CID138463649
Molecular FormulaC9H6BrN3O2
Molecular Weight268.07 g/mol
Exact Mass266.96
IUPAC Name3-bromo-6-methoxy-4-nitroso-1,7-naphthyridine
SMILESCOc1cc2c(N=O)c(Br)cnc2cn1
InChIInChI=1S/C9H6BrN3O2/c1-15-8-2-5-7(4-12-8)11-3-6(10)9(5)13-14/h2-4H,1H3
InChIKeyVZQMULMGXUFSNQ-UHFFFAOYSA-N
XLogP2.80
TPSA64.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methoxy-4-nitroso-1,7-naphthyridine?
The IUPAC name of 3-bromo-6-methoxy-4-nitroso-1,7-naphthyridine (CID 138463649) is 3-bromo-6-methoxy-4-nitroso-1,7-naphthyridine.
What is the SMILES notation for 3-bromo-6-methoxy-4-nitroso-1,7-naphthyridine?
The canonical SMILES for 3-bromo-6-methoxy-4-nitroso-1,7-naphthyridine is COc1cc2c(N=O)c(Br)cnc2cn1.
What is the InChIKey of 3-bromo-6-methoxy-4-nitroso-1,7-naphthyridine?
The InChIKey is VZQMULMGXUFSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O2/c1-15-8-2-5-7(4-12-8)11-3-6(10)9(5)13-14/h2-4H,1H3.
What are the key properties of 3-bromo-6-methoxy-4-nitroso-1,7-naphthyridine?
3-bromo-6-methoxy-4-nitroso-1,7-naphthyridine has a molecular weight of 268.07 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methoxy-4-nitroso-1,7-naphthyridine is sourced from PubChem (CID 138463649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).