3,6-dibromo-1,8-naphthyridine-2-carboxylic acid

C9H4Br2N2O2 — CID 127256117

IUPAC3,6-dibromo-1,8-naphthyridine-2-carboxylic acid
SMILESO=C(O)c1nc2ncc(Br)cc2cc1Br
InChIInChI=1S/C9H4Br2N2O2/c10-5-1-4-2-6(11)7(9(14)15)13-8(4)12-3-5/h1-3H,(H,14,15)
InChIKeyWHSWOXVIAJMTAC-UHFFFAOYSA-N
MW331.95 g/mol
LogP2.85
Rot. Bonds1

About 3,6-dibromo-1,8-naphthyridine-2-carboxylic acid

3,6-dibromo-1,8-naphthyridine-2-carboxylic acid (PubChem CID 127256117) has the molecular formula C9H4Br2N2O2 and a molecular weight of 331.95 g/mol. Its IUPAC name is 3,6-dibromo-1,8-naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name3,6-dibromo-1,8-naphthyridine-2-carboxylic acid
PubChem CID127256117
Molecular FormulaC9H4Br2N2O2
Molecular Weight331.95 g/mol
Exact Mass329.86
IUPAC Name3,6-dibromo-1,8-naphthyridine-2-carboxylic acid
SMILESO=C(O)c1nc2ncc(Br)cc2cc1Br
InChIInChI=1S/C9H4Br2N2O2/c10-5-1-4-2-6(11)7(9(14)15)13-8(4)12-3-5/h1-3H,(H,14,15)
InChIKeyWHSWOXVIAJMTAC-UHFFFAOYSA-N
XLogP2.85
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.95
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-1,8-naphthyridine-2-carboxylic acid?
The IUPAC name of 3,6-dibromo-1,8-naphthyridine-2-carboxylic acid (CID 127256117) is 3,6-dibromo-1,8-naphthyridine-2-carboxylic acid.
What is the SMILES notation for 3,6-dibromo-1,8-naphthyridine-2-carboxylic acid?
The canonical SMILES for 3,6-dibromo-1,8-naphthyridine-2-carboxylic acid is O=C(O)c1nc2ncc(Br)cc2cc1Br.
What is the InChIKey of 3,6-dibromo-1,8-naphthyridine-2-carboxylic acid?
The InChIKey is WHSWOXVIAJMTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Br2N2O2/c10-5-1-4-2-6(11)7(9(14)15)13-8(4)12-3-5/h1-3H,(H,14,15).
What are the key properties of 3,6-dibromo-1,8-naphthyridine-2-carboxylic acid?
3,6-dibromo-1,8-naphthyridine-2-carboxylic acid has a molecular weight of 331.95 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-1,8-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 127256117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).