8-bromo-1,5-naphthyridine-3-carboxylic acid

C9H5BrN2O2 — CID 126455199

IUPAC8-bromo-1,5-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2c(Br)ccnc2c1
InChIInChI=1S/C9H5BrN2O2/c10-6-1-2-11-7-3-5(9(13)14)4-12-8(6)7/h1-4H,(H,13,14)
InChIKeyDERFPWWIVWOJBT-UHFFFAOYSA-N
MW253.05 g/mol
LogP2.09
Rot. Bonds1

About 8-bromo-1,5-naphthyridine-3-carboxylic acid

8-bromo-1,5-naphthyridine-3-carboxylic acid (PubChem CID 126455199) has the molecular formula C9H5BrN2O2 and a molecular weight of 253.05 g/mol. Its IUPAC name is 8-bromo-1,5-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name8-bromo-1,5-naphthyridine-3-carboxylic acid
PubChem CID126455199
Molecular FormulaC9H5BrN2O2
Molecular Weight253.05 g/mol
Exact Mass251.95
IUPAC Name8-bromo-1,5-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2c(Br)ccnc2c1
InChIInChI=1S/C9H5BrN2O2/c10-6-1-2-11-7-3-5(9(13)14)4-12-8(6)7/h1-4H,(H,13,14)
InChIKeyDERFPWWIVWOJBT-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-1,5-naphthyridine-3-carboxylic acid?
The IUPAC name of 8-bromo-1,5-naphthyridine-3-carboxylic acid (CID 126455199) is 8-bromo-1,5-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 8-bromo-1,5-naphthyridine-3-carboxylic acid?
The canonical SMILES for 8-bromo-1,5-naphthyridine-3-carboxylic acid is O=C(O)c1cnc2c(Br)ccnc2c1.
What is the InChIKey of 8-bromo-1,5-naphthyridine-3-carboxylic acid?
The InChIKey is DERFPWWIVWOJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN2O2/c10-6-1-2-11-7-3-5(9(13)14)4-12-8(6)7/h1-4H,(H,13,14).
What are the key properties of 8-bromo-1,5-naphthyridine-3-carboxylic acid?
8-bromo-1,5-naphthyridine-3-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-1,5-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 126455199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).