5-(2-bromophenyl)pyridazine-4-carboxylic acid

C11H7BrN2O2 — CID 117127535

IUPAC5-(2-bromophenyl)pyridazine-4-carboxylic acid
SMILESO=C(O)c1cnncc1-c1ccccc1Br
InChIInChI=1S/C11H7BrN2O2/c12-10-4-2-1-3-7(10)8-5-13-14-6-9(8)11(15)16/h1-6H,(H,15,16)
InChIKeyBHLUMBQHFYPKGG-UHFFFAOYSA-N
MW279.09 g/mol
LogP2.60
Rot. Bonds2

About 5-(2-bromophenyl)pyridazine-4-carboxylic acid

5-(2-bromophenyl)pyridazine-4-carboxylic acid (PubChem CID 117127535) has the molecular formula C11H7BrN2O2 and a molecular weight of 279.09 g/mol. Its IUPAC name is 5-(2-bromophenyl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-bromophenyl)pyridazine-4-carboxylic acid
PubChem CID117127535
Molecular FormulaC11H7BrN2O2
Molecular Weight279.09 g/mol
Exact Mass277.97
IUPAC Name5-(2-bromophenyl)pyridazine-4-carboxylic acid
SMILESO=C(O)c1cnncc1-c1ccccc1Br
InChIInChI=1S/C11H7BrN2O2/c12-10-4-2-1-3-7(10)8-5-13-14-6-9(8)11(15)16/h1-6H,(H,15,16)
InChIKeyBHLUMBQHFYPKGG-UHFFFAOYSA-N
XLogP2.60
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.09
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromopyridazine-4-carboxylic acid
CID 118817051
5-(2-bromophenyl)-1H-pyrazole-4-carboxylic acid
CID 22831680
2-(2-bromophenyl)-5-methylbenzoic acid
CID 115503534
5-(1H-indol-2-yl)pyridazine-4-carboxylic acid
CID 82388435
6-(2-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 112562051
5-(2-bromophenyl)pyrazine-2,3-dicarboxylic acid
CID 132588488
2-(2,4-dibromophenyl)benzoic acid
CID 175057498
6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid
CID 994225
2-(8-bromonaphthalen-1-yl)benzoic acid
CID 102060939
3-(2-bromophenyl)-1-ethylpyrazole-4-carboxylic acid
CID 20848732
5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid
CID 134191464
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)pyridazine-4-carboxylic acid?
The IUPAC name of 5-(2-bromophenyl)pyridazine-4-carboxylic acid (CID 117127535) is 5-(2-bromophenyl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 5-(2-bromophenyl)pyridazine-4-carboxylic acid?
The canonical SMILES for 5-(2-bromophenyl)pyridazine-4-carboxylic acid is O=C(O)c1cnncc1-c1ccccc1Br.
What is the InChIKey of 5-(2-bromophenyl)pyridazine-4-carboxylic acid?
The InChIKey is BHLUMBQHFYPKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O2/c12-10-4-2-1-3-7(10)8-5-13-14-6-9(8)11(15)16/h1-6H,(H,15,16).
What are the key properties of 5-(2-bromophenyl)pyridazine-4-carboxylic acid?
5-(2-bromophenyl)pyridazine-4-carboxylic acid has a molecular weight of 279.09 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 117127535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).