8-(bromomethyl)pyrido[2,3-d]pyridazine

C8H6BrN3 — CID 151069690

IUPAC8-(bromomethyl)pyrido[2,3-d]pyridazine
SMILESBrCc1nncc2cccnc12
InChIInChI=1S/C8H6BrN3/c9-4-7-8-6(5-11-12-7)2-1-3-10-8/h1-3,5H,4H2
InChIKeyMHWMKLHZKOYUQE-UHFFFAOYSA-N
MW224.06 g/mol
LogP1.92
Rot. Bonds1

About 8-(bromomethyl)pyrido[2,3-d]pyridazine

8-(bromomethyl)pyrido[2,3-d]pyridazine (PubChem CID 151069690) has the molecular formula C8H6BrN3 and a molecular weight of 224.06 g/mol. Its IUPAC name is 8-(bromomethyl)pyrido[2,3-d]pyridazine.

Molecular Properties

Compound Name8-(bromomethyl)pyrido[2,3-d]pyridazine
PubChem CID151069690
Molecular FormulaC8H6BrN3
Molecular Weight224.06 g/mol
Exact Mass222.97
IUPAC Name8-(bromomethyl)pyrido[2,3-d]pyridazine
SMILESBrCc1nncc2cccnc12
InChIInChI=1S/C8H6BrN3/c9-4-7-8-6(5-11-12-7)2-1-3-10-8/h1-3,5H,4H2
InChIKeyMHWMKLHZKOYUQE-UHFFFAOYSA-N
XLogP1.92
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-pyrido[2,3-d]pyridazin-8-ylethanone
CID 619121
pyrido[2,3-d]pyridazin-8-amine
CID 55281403
8-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine
CID 161158714
8-ethyl-1,7-naphthyridin-6-amine
CID 53237023
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
ethane;1,6-naphthyridin-8-ol
CID 90698310

Frequently Asked Questions

What is the IUPAC name of 8-(bromomethyl)pyrido[2,3-d]pyridazine?
The IUPAC name of 8-(bromomethyl)pyrido[2,3-d]pyridazine (CID 151069690) is 8-(bromomethyl)pyrido[2,3-d]pyridazine.
What is the SMILES notation for 8-(bromomethyl)pyrido[2,3-d]pyridazine?
The canonical SMILES for 8-(bromomethyl)pyrido[2,3-d]pyridazine is BrCc1nncc2cccnc12.
What is the InChIKey of 8-(bromomethyl)pyrido[2,3-d]pyridazine?
The InChIKey is MHWMKLHZKOYUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3/c9-4-7-8-6(5-11-12-7)2-1-3-10-8/h1-3,5H,4H2.
What are the key properties of 8-(bromomethyl)pyrido[2,3-d]pyridazine?
8-(bromomethyl)pyrido[2,3-d]pyridazine has a molecular weight of 224.06 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(bromomethyl)pyrido[2,3-d]pyridazine is sourced from PubChem (CID 151069690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).