3-bromo-6-[(2S)-3-cyclopropyl-2-methoxypropyl]pyridazine

C11H15BrN2O — CID 175487988

IUPAC3-bromo-6-[(2S)-3-cyclopropyl-2-methoxypropyl]pyridazine
SMILESCO[C@H](Cc1ccc(Br)nn1)CC1CC1
InChIInChI=1S/C11H15BrN2O/c1-15-10(6-8-2-3-8)7-9-4-5-11(12)14-13-9/h4-5,8,10H,2-3,6-7H2,1H3/t10-/m0/s1
InChIKeyUAFRNUSHGYRVIZ-JTQLQIEISA-N
MW271.16 g/mol
LogP2.60
Rot. Bonds5

About 3-bromo-6-[(2S)-3-cyclopropyl-2-methoxypropyl]pyridazine

3-bromo-6-[(2S)-3-cyclopropyl-2-methoxypropyl]pyridazine (PubChem CID 175487988) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 3-bromo-6-[(2S)-3-cyclopropyl-2-methoxypropyl]pyridazine.

Molecular Properties

Compound Name3-bromo-6-[(2S)-3-cyclopropyl-2-methoxypropyl]pyridazine
PubChem CID175487988
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name3-bromo-6-[(2S)-3-cyclopropyl-2-methoxypropyl]pyridazine
SMILESCO[C@H](Cc1ccc(Br)nn1)CC1CC1
InChIInChI=1S/C11H15BrN2O/c1-15-10(6-8-2-3-8)7-9-4-5-11(12)14-13-9/h4-5,8,10H,2-3,6-7H2,1H3/t10-/m0/s1
InChIKeyUAFRNUSHGYRVIZ-JTQLQIEISA-N
XLogP2.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[(2S)-3-cyclopropyl-2-methoxypropyl]pyridazine?
The IUPAC name of 3-bromo-6-[(2S)-3-cyclopropyl-2-methoxypropyl]pyridazine (CID 175487988) is 3-bromo-6-[(2S)-3-cyclopropyl-2-methoxypropyl]pyridazine.
What is the SMILES notation for 3-bromo-6-[(2S)-3-cyclopropyl-2-methoxypropyl]pyridazine?
The canonical SMILES for 3-bromo-6-[(2S)-3-cyclopropyl-2-methoxypropyl]pyridazine is CO[C@H](Cc1ccc(Br)nn1)CC1CC1.
What is the InChIKey of 3-bromo-6-[(2S)-3-cyclopropyl-2-methoxypropyl]pyridazine?
The InChIKey is UAFRNUSHGYRVIZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-15-10(6-8-2-3-8)7-9-4-5-11(12)14-13-9/h4-5,8,10H,2-3,6-7H2,1H3/t10-/m0/s1.
What are the key properties of 3-bromo-6-[(2S)-3-cyclopropyl-2-methoxypropyl]pyridazine?
3-bromo-6-[(2S)-3-cyclopropyl-2-methoxypropyl]pyridazine has a molecular weight of 271.16 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[(2S)-3-cyclopropyl-2-methoxypropyl]pyridazine is sourced from PubChem (CID 175487988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).