4-bromo-2-pyridazin-3-ylpyrimidine

C8H5BrN4 — CID 19050405

IUPAC4-bromo-2-pyridazin-3-ylpyrimidine
SMILESBrc1ccnc(-c2cccnn2)n1
InChIInChI=1S/C8H5BrN4/c9-7-3-5-10-8(12-7)6-2-1-4-11-13-6/h1-5H
InChIKeyXMACZTBIODALLW-UHFFFAOYSA-N
MW237.06 g/mol
LogP1.70
Rot. Bonds1

About 4-bromo-2-pyridazin-3-ylpyrimidine

4-bromo-2-pyridazin-3-ylpyrimidine (PubChem CID 19050405) has the molecular formula C8H5BrN4 and a molecular weight of 237.06 g/mol. Its IUPAC name is 4-bromo-2-pyridazin-3-ylpyrimidine.

Molecular Properties

Compound Name4-bromo-2-pyridazin-3-ylpyrimidine
PubChem CID19050405
Molecular FormulaC8H5BrN4
Molecular Weight237.06 g/mol
Exact Mass235.97
IUPAC Name4-bromo-2-pyridazin-3-ylpyrimidine
SMILESBrc1ccnc(-c2cccnn2)n1
InChIInChI=1S/C8H5BrN4/c9-7-3-5-10-8(12-7)6-2-1-4-11-13-6/h1-5H
InChIKeyXMACZTBIODALLW-UHFFFAOYSA-N
XLogP1.70
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.06
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-pyridazin-3-ylpyrimidine?
The IUPAC name of 4-bromo-2-pyridazin-3-ylpyrimidine (CID 19050405) is 4-bromo-2-pyridazin-3-ylpyrimidine.
What is the SMILES notation for 4-bromo-2-pyridazin-3-ylpyrimidine?
The canonical SMILES for 4-bromo-2-pyridazin-3-ylpyrimidine is Brc1ccnc(-c2cccnn2)n1.
What is the InChIKey of 4-bromo-2-pyridazin-3-ylpyrimidine?
The InChIKey is XMACZTBIODALLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN4/c9-7-3-5-10-8(12-7)6-2-1-4-11-13-6/h1-5H.
What are the key properties of 4-bromo-2-pyridazin-3-ylpyrimidine?
4-bromo-2-pyridazin-3-ylpyrimidine has a molecular weight of 237.06 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-pyridazin-3-ylpyrimidine is sourced from PubChem (CID 19050405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).