3-(4-bromophenyl)-6-propan-2-ylpyridazine

C13H13BrN2 — CID 118454795

IUPAC3-(4-bromophenyl)-6-propan-2-ylpyridazine
SMILESCC(C)c1ccc(-c2ccc(Br)cc2)nn1
InChIInChI=1S/C13H13BrN2/c1-9(2)12-7-8-13(16-15-12)10-3-5-11(14)6-4-10/h3-9H,1-2H3
InChIKeySYZYMBGFKJEZTI-UHFFFAOYSA-N
MW277.17 g/mol
LogP4.03
Rot. Bonds2

About 3-(4-bromophenyl)-6-propan-2-ylpyridazine

3-(4-bromophenyl)-6-propan-2-ylpyridazine (PubChem CID 118454795) has the molecular formula C13H13BrN2 and a molecular weight of 277.17 g/mol. Its IUPAC name is 3-(4-bromophenyl)-6-propan-2-ylpyridazine.

Molecular Properties

Compound Name3-(4-bromophenyl)-6-propan-2-ylpyridazine
PubChem CID118454795
Molecular FormulaC13H13BrN2
Molecular Weight277.17 g/mol
Exact Mass276.03
IUPAC Name3-(4-bromophenyl)-6-propan-2-ylpyridazine
SMILESCC(C)c1ccc(-c2ccc(Br)cc2)nn1
InChIInChI=1S/C13H13BrN2/c1-9(2)12-7-8-13(16-15-12)10-3-5-11(14)6-4-10/h3-9H,1-2H3
InChIKeySYZYMBGFKJEZTI-UHFFFAOYSA-N
XLogP4.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-6-propan-2-ylpyridazine?
The IUPAC name of 3-(4-bromophenyl)-6-propan-2-ylpyridazine (CID 118454795) is 3-(4-bromophenyl)-6-propan-2-ylpyridazine.
What is the SMILES notation for 3-(4-bromophenyl)-6-propan-2-ylpyridazine?
The canonical SMILES for 3-(4-bromophenyl)-6-propan-2-ylpyridazine is CC(C)c1ccc(-c2ccc(Br)cc2)nn1.
What is the InChIKey of 3-(4-bromophenyl)-6-propan-2-ylpyridazine?
The InChIKey is SYZYMBGFKJEZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/c1-9(2)12-7-8-13(16-15-12)10-3-5-11(14)6-4-10/h3-9H,1-2H3.
What are the key properties of 3-(4-bromophenyl)-6-propan-2-ylpyridazine?
3-(4-bromophenyl)-6-propan-2-ylpyridazine has a molecular weight of 277.17 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-6-propan-2-ylpyridazine is sourced from PubChem (CID 118454795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).