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

C9H7BrN2O — CID 133060067

IUPAC4-bromo-7-methoxy-1,6-naphthyridine
SMILESCOc1cc2nccc(Br)c2cn1
InChIInChI=1S/C9H7BrN2O/c1-13-9-4-8-6(5-12-9)7(10)2-3-11-8/h2-5H,1H3
InChIKeyCVWHTBFKOCFVTE-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.40
Rot. Bonds1

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

4-bromo-7-methoxy-1,6-naphthyridine (PubChem CID 133060067) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 4-bromo-7-methoxy-1,6-naphthyridine.

Molecular Properties

Compound Name4-bromo-7-methoxy-1,6-naphthyridine
PubChem CID133060067
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name4-bromo-7-methoxy-1,6-naphthyridine
SMILESCOc1cc2nccc(Br)c2cn1
InChIInChI=1S/C9H7BrN2O/c1-13-9-4-8-6(5-12-9)7(10)2-3-11-8/h2-5H,1H3
InChIKeyCVWHTBFKOCFVTE-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 4-bromo-7-methoxy-1,6-naphthyridine?
The IUPAC name of 4-bromo-7-methoxy-1,6-naphthyridine (CID 133060067) is 4-bromo-7-methoxy-1,6-naphthyridine.
What is the SMILES notation for 4-bromo-7-methoxy-1,6-naphthyridine?
The canonical SMILES for 4-bromo-7-methoxy-1,6-naphthyridine is COc1cc2nccc(Br)c2cn1.
What is the InChIKey of 4-bromo-7-methoxy-1,6-naphthyridine?
The InChIKey is CVWHTBFKOCFVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c1-13-9-4-8-6(5-12-9)7(10)2-3-11-8/h2-5H,1H3.
What are the key properties of 4-bromo-7-methoxy-1,6-naphthyridine?
4-bromo-7-methoxy-1,6-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 4-bromo-7-methoxy-1,6-naphthyridine is sourced from PubChem (CID 133060067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).