5-bromopyridazine-4-carboxylic acid

C5H3BrN2O2 — CID 118817051

IUPAC5-bromopyridazine-4-carboxylic acid
SMILESO=C(O)c1cnncc1Br
InChIInChI=1S/C5H3BrN2O2/c6-4-2-8-7-1-3(4)5(9)10/h1-2H,(H,9,10)
InChIKeyDCDDEMGFGOKDGP-UHFFFAOYSA-N
MW202.99 g/mol
LogP0.94
Rot. Bonds1

About 5-bromopyridazine-4-carboxylic acid

5-bromopyridazine-4-carboxylic acid (PubChem CID 118817051) has the molecular formula C5H3BrN2O2 and a molecular weight of 202.99 g/mol. Its IUPAC name is 5-bromopyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5-bromopyridazine-4-carboxylic acid
PubChem CID118817051
Molecular FormulaC5H3BrN2O2
Molecular Weight202.99 g/mol
Exact Mass201.94
IUPAC Name5-bromopyridazine-4-carboxylic acid
SMILESO=C(O)c1cnncc1Br
InChIInChI=1S/C5H3BrN2O2/c6-4-2-8-7-1-3(4)5(9)10/h1-2H,(H,9,10)
InChIKeyDCDDEMGFGOKDGP-UHFFFAOYSA-N
XLogP0.94
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.99
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-bromophenyl)pyridazine-4-carboxylic acid
CID 117127535
5-bromo-2-iodopyridine-4-carboxylic acid
CID 131261755
5-(trifluoromethyl)pyridazine-4-carboxylic acid
CID 69242850
5-bromo-2-methylsulfanylpyridine-4-carboxylic acid
CID 130572390
5-bromo-2,6-dimethylpyridine-3-carboxylic acid
CID 130636897
8-bromoisoquinoline-4-carboxylic acid
CID 172915891
2,4-dibromobenzoic acid
CID 11896
4-bromo-2,1,3-benzothiadiazole-7-carboxylic acid
CID 59409543
6-bromo-4-iodopyridine-3-carboxylic acid
CID 58266298
7-bromo-1,2-benzoxazole-4-carboxylic acid
CID 117109891
2,5-dibromobenzene-1,3-dicarboxylic acid
CID 22572011
5-[1-(4-chlorophenyl)-2-oxoethyl]pyridazine-4-carboxylic acid
CID 88611201

Frequently Asked Questions

What is the IUPAC name of 5-bromopyridazine-4-carboxylic acid?
The IUPAC name of 5-bromopyridazine-4-carboxylic acid (CID 118817051) is 5-bromopyridazine-4-carboxylic acid.
What is the SMILES notation for 5-bromopyridazine-4-carboxylic acid?
The canonical SMILES for 5-bromopyridazine-4-carboxylic acid is O=C(O)c1cnncc1Br.
What is the InChIKey of 5-bromopyridazine-4-carboxylic acid?
The InChIKey is DCDDEMGFGOKDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrN2O2/c6-4-2-8-7-1-3(4)5(9)10/h1-2H,(H,9,10).
What are the key properties of 5-bromopyridazine-4-carboxylic acid?
5-bromopyridazine-4-carboxylic acid has a molecular weight of 202.99 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyridazine-4-carboxylic acid is sourced from PubChem (CID 118817051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).