3-bromo-1,8-naphthyridine

C8H5BrN2 — CID 3446442

IUPAC3-bromo-1,8-naphthyridine
SMILESBrc1cnc2ncccc2c1
InChIInChI=1S/C8H5BrN2/c9-7-4-6-2-1-3-10-8(6)11-5-7/h1-5H
InChIKeyPDZZZAWKYMHGLA-UHFFFAOYSA-N
MW209.05 g/mol
LogP2.39
Rot. Bonds

About 3-bromo-1,8-naphthyridine

3-bromo-1,8-naphthyridine (PubChem CID 3446442) has the molecular formula C8H5BrN2 and a molecular weight of 209.05 g/mol. Its IUPAC name is 3-bromo-1,8-naphthyridine.

Molecular Properties

Compound Name3-bromo-1,8-naphthyridine
PubChem CID3446442
Molecular FormulaC8H5BrN2
Molecular Weight209.05 g/mol
Exact Mass207.96
IUPAC Name3-bromo-1,8-naphthyridine
SMILESBrc1cnc2ncccc2c1
InChIInChI=1S/C8H5BrN2/c9-7-4-6-2-1-3-10-8(6)11-5-7/h1-5H
InChIKeyPDZZZAWKYMHGLA-UHFFFAOYSA-N
XLogP2.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.05
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,8-naphthyridine?
The IUPAC name of 3-bromo-1,8-naphthyridine (CID 3446442) is 3-bromo-1,8-naphthyridine.
What is the SMILES notation for 3-bromo-1,8-naphthyridine?
The canonical SMILES for 3-bromo-1,8-naphthyridine is Brc1cnc2ncccc2c1.
What is the InChIKey of 3-bromo-1,8-naphthyridine?
The InChIKey is PDZZZAWKYMHGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2/c9-7-4-6-2-1-3-10-8(6)11-5-7/h1-5H.
What are the key properties of 3-bromo-1,8-naphthyridine?
3-bromo-1,8-naphthyridine has a molecular weight of 209.05 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,8-naphthyridine is sourced from PubChem (CID 3446442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).