8-bromo-1,6-naphthyridine-2-carboxylic acid

C9H5BrN2O2 — CID 2761050

IUPAC8-bromo-1,6-naphthyridine-2-carboxylic acid
SMILESO=C(O)c1ccc2cncc(Br)c2n1
InChIInChI=1S/C9H5BrN2O2/c10-6-4-11-3-5-1-2-7(9(13)14)12-8(5)6/h1-4H,(H,13,14)
InChIKeyISJKXVUODLFGIU-UHFFFAOYSA-N
MW253.05 g/mol
LogP2.09
Rot. Bonds1

About 8-bromo-1,6-naphthyridine-2-carboxylic acid

8-bromo-1,6-naphthyridine-2-carboxylic acid (PubChem CID 2761050) has the molecular formula C9H5BrN2O2 and a molecular weight of 253.05 g/mol. Its IUPAC name is 8-bromo-1,6-naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name8-bromo-1,6-naphthyridine-2-carboxylic acid
PubChem CID2761050
Molecular FormulaC9H5BrN2O2
Molecular Weight253.05 g/mol
Exact Mass251.95
IUPAC Name8-bromo-1,6-naphthyridine-2-carboxylic acid
SMILESO=C(O)c1ccc2cncc(Br)c2n1
InChIInChI=1S/C9H5BrN2O2/c10-6-4-11-3-5-1-2-7(9(13)14)12-8(5)6/h1-4H,(H,13,14)
InChIKeyISJKXVUODLFGIU-UHFFFAOYSA-N
XLogP2.09
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.05
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1,6-naphthyridine-2-carboxylic acid?
The IUPAC name of 8-bromo-1,6-naphthyridine-2-carboxylic acid (CID 2761050) is 8-bromo-1,6-naphthyridine-2-carboxylic acid.
What is the SMILES notation for 8-bromo-1,6-naphthyridine-2-carboxylic acid?
The canonical SMILES for 8-bromo-1,6-naphthyridine-2-carboxylic acid is O=C(O)c1ccc2cncc(Br)c2n1.
What is the InChIKey of 8-bromo-1,6-naphthyridine-2-carboxylic acid?
The InChIKey is ISJKXVUODLFGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN2O2/c10-6-4-11-3-5-1-2-7(9(13)14)12-8(5)6/h1-4H,(H,13,14).
What are the key properties of 8-bromo-1,6-naphthyridine-2-carboxylic acid?
8-bromo-1,6-naphthyridine-2-carboxylic acid has a molecular weight of 253.05 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1,6-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 2761050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).