6-bromo-2-methoxy-1,8-naphthyridine

C9H7BrN2O — CID 122362494

IUPAC6-bromo-2-methoxy-1,8-naphthyridine
SMILESCOc1ccc2cc(Br)cnc2n1
InChIInChI=1S/C9H7BrN2O/c1-13-8-3-2-6-4-7(10)5-11-9(6)12-8/h2-5H,1H3
InChIKeySDENQYQTQQVHFM-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.40
Rot. Bonds1

About 6-bromo-2-methoxy-1,8-naphthyridine

6-bromo-2-methoxy-1,8-naphthyridine (PubChem CID 122362494) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 6-bromo-2-methoxy-1,8-naphthyridine.

Molecular Properties

Compound Name6-bromo-2-methoxy-1,8-naphthyridine
PubChem CID122362494
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name6-bromo-2-methoxy-1,8-naphthyridine
SMILESCOc1ccc2cc(Br)cnc2n1
InChIInChI=1S/C9H7BrN2O/c1-13-8-3-2-6-4-7(10)5-11-9(6)12-8/h2-5H,1H3
InChIKeySDENQYQTQQVHFM-UHFFFAOYSA-N
XLogP2.40
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methoxy-1,8-naphthyridine?
The IUPAC name of 6-bromo-2-methoxy-1,8-naphthyridine (CID 122362494) is 6-bromo-2-methoxy-1,8-naphthyridine.
What is the SMILES notation for 6-bromo-2-methoxy-1,8-naphthyridine?
The canonical SMILES for 6-bromo-2-methoxy-1,8-naphthyridine is COc1ccc2cc(Br)cnc2n1.
What is the InChIKey of 6-bromo-2-methoxy-1,8-naphthyridine?
The InChIKey is SDENQYQTQQVHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c1-13-8-3-2-6-4-7(10)5-11-9(6)12-8/h2-5H,1H3.
What are the key properties of 6-bromo-2-methoxy-1,8-naphthyridine?
6-bromo-2-methoxy-1,8-naphthyridine has a molecular weight of 239.07 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methoxy-1,8-naphthyridine is sourced from PubChem (CID 122362494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).