5-bromo-6-methyl-1,7-naphthyridine

C9H7BrN2 — CID 43841802

IUPAC5-bromo-6-methyl-1,7-naphthyridine
SMILESCc1ncc2ncccc2c1Br
InChIInChI=1S/C9H7BrN2/c1-6-9(10)7-3-2-4-11-8(7)5-12-6/h2-5H,1H3
InChIKeyOSXKPXRIFYUDBV-UHFFFAOYSA-N
MW223.07 g/mol
LogP2.70
Rot. Bonds

About 5-bromo-6-methyl-1,7-naphthyridine

5-bromo-6-methyl-1,7-naphthyridine (PubChem CID 43841802) has the molecular formula C9H7BrN2 and a molecular weight of 223.07 g/mol. Its IUPAC name is 5-bromo-6-methyl-1,7-naphthyridine.

Molecular Properties

Compound Name5-bromo-6-methyl-1,7-naphthyridine
PubChem CID43841802
Molecular FormulaC9H7BrN2
Molecular Weight223.07 g/mol
Exact Mass221.98
IUPAC Name5-bromo-6-methyl-1,7-naphthyridine
SMILESCc1ncc2ncccc2c1Br
InChIInChI=1S/C9H7BrN2/c1-6-9(10)7-3-2-4-11-8(7)5-12-6/h2-5H,1H3
InChIKeyOSXKPXRIFYUDBV-UHFFFAOYSA-N
XLogP2.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-1,7-naphthyridine?
The IUPAC name of 5-bromo-6-methyl-1,7-naphthyridine (CID 43841802) is 5-bromo-6-methyl-1,7-naphthyridine.
What is the SMILES notation for 5-bromo-6-methyl-1,7-naphthyridine?
The canonical SMILES for 5-bromo-6-methyl-1,7-naphthyridine is Cc1ncc2ncccc2c1Br.
What is the InChIKey of 5-bromo-6-methyl-1,7-naphthyridine?
The InChIKey is OSXKPXRIFYUDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2/c1-6-9(10)7-3-2-4-11-8(7)5-12-6/h2-5H,1H3.
What are the key properties of 5-bromo-6-methyl-1,7-naphthyridine?
5-bromo-6-methyl-1,7-naphthyridine has a molecular weight of 223.07 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-1,7-naphthyridine is sourced from PubChem (CID 43841802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).