3-bromopyridazine

C4H3BrN2 — CID 13126699

IUPAC3-bromopyridazine
SMILESBrc1cccnn1
InChIInChI=1S/C4H3BrN2/c5-4-2-1-3-6-7-4/h1-3H
InChIKeyILYSUJOMLYXAOC-UHFFFAOYSA-N
MW158.99 g/mol
LogP1.24
Rot. Bonds

About 3-bromopyridazine

3-bromopyridazine (PubChem CID 13126699) has the molecular formula C4H3BrN2 and a molecular weight of 158.99 g/mol. Its IUPAC name is 3-bromopyridazine.

Molecular Properties

Compound Name3-bromopyridazine
PubChem CID13126699
Molecular FormulaC4H3BrN2
Molecular Weight158.99 g/mol
Exact Mass157.95
IUPAC Name3-bromopyridazine
SMILESBrc1cccnn1
InChIInChI=1S/C4H3BrN2/c5-4-2-1-3-6-7-4/h1-3H
InChIKeyILYSUJOMLYXAOC-UHFFFAOYSA-N
XLogP1.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.99
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyridazine
CID 9259
3,6-Dibromopyridazine
CID 248852
3-Iodopyridazine
CID 11298682
4-Bromopyridazine
CID 17888927
3-Fluoropyridazine
CID 18987697
3,5-Dibromopyridazine
CID 44182336
4-Bromopyridazine hydrobromide
CID 53407906
3,4,6-Tribromopyridazine
CID 57345829
3-Bromo-6-iodopyridazine
CID 119084293
4-(Bromomethyl)pyridazine hydrobromide
CID 135331119
Pyridazine hydrochloride
CID 18954716
6-Bromopyridazine-4-carbonitrile
CID 84659373

Frequently Asked Questions

What is the IUPAC name of 3-bromopyridazine?
The IUPAC name of 3-bromopyridazine (CID 13126699) is 3-bromopyridazine.
What is the SMILES notation for 3-bromopyridazine?
The canonical SMILES for 3-bromopyridazine is Brc1cccnn1.
What is the InChIKey of 3-bromopyridazine?
The InChIKey is ILYSUJOMLYXAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrN2/c5-4-2-1-3-6-7-4/h1-3H.
What are the key properties of 3-bromopyridazine?
3-bromopyridazine has a molecular weight of 158.99 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopyridazine is sourced from PubChem (CID 13126699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).