3-[(2-bromophenyl)-methoxymethyl]pyridazine

C12H11BrN2O — CID 21387583

IUPAC3-[(2-bromophenyl)-methoxymethyl]pyridazine
SMILESCOC(c1cccnn1)c1ccccc1Br
InChIInChI=1S/C12H11BrN2O/c1-16-12(11-7-4-8-14-15-11)9-5-2-3-6-10(9)13/h2-8,12H,1H3
InChIKeyYWYULHDKOXRKBV-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.97
Rot. Bonds3

About 3-[(2-bromophenyl)-methoxymethyl]pyridazine

3-[(2-bromophenyl)-methoxymethyl]pyridazine (PubChem CID 21387583) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 3-[(2-bromophenyl)-methoxymethyl]pyridazine.

Molecular Properties

Compound Name3-[(2-bromophenyl)-methoxymethyl]pyridazine
PubChem CID21387583
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name3-[(2-bromophenyl)-methoxymethyl]pyridazine
SMILESCOC(c1cccnn1)c1ccccc1Br
InChIInChI=1S/C12H11BrN2O/c1-16-12(11-7-4-8-14-15-11)9-5-2-3-6-10(9)13/h2-8,12H,1H3
InChIKeyYWYULHDKOXRKBV-UHFFFAOYSA-N
XLogP2.97
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(+/-) 3-alpha-Hydroxybenzylpyridazine
CID 10397539
3-(a-Methoxybenzyl)pyridazine
CID 15684250
4-(a-Methoxybenzyl)pyridazin
CID 13205671
(3-Bromo-2-fluorophenyl)(pyridazin-3-yl)methanol
CID 86730395
1-(4-Bromophenyl)-2,2,2-trifluoro-1-(5-methylpyridazin-3-yl)ethanol
CID 178113422
3-[Ethoxy(phenyl)methyl]pyridazine
CID 15684251
3-[(2-Ethylphenyl)-methoxymethyl]pyridazine
CID 21387586
3-[(2-Chlorophenyl)-methoxymethyl]pyridazine
CID 21387611
(2-Bromophenyl)-pyridazin-3-ylmethanol
CID 21387711
3-[Methoxy-(2-methylphenyl)methyl]pyridazine
CID 21387727
2-Phenyl-1-pyridazin-3-ylethanol
CID 68975604
2-(2-Bromophenyl)-1-pyridazin-4-ylethanol
CID 105077117

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)-methoxymethyl]pyridazine?
The IUPAC name of 3-[(2-bromophenyl)-methoxymethyl]pyridazine (CID 21387583) is 3-[(2-bromophenyl)-methoxymethyl]pyridazine.
What is the SMILES notation for 3-[(2-bromophenyl)-methoxymethyl]pyridazine?
The canonical SMILES for 3-[(2-bromophenyl)-methoxymethyl]pyridazine is COC(c1cccnn1)c1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)-methoxymethyl]pyridazine?
The InChIKey is YWYULHDKOXRKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c1-16-12(11-7-4-8-14-15-11)9-5-2-3-6-10(9)13/h2-8,12H,1H3.
What are the key properties of 3-[(2-bromophenyl)-methoxymethyl]pyridazine?
3-[(2-bromophenyl)-methoxymethyl]pyridazine has a molecular weight of 279.14 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)-methoxymethyl]pyridazine is sourced from PubChem (CID 21387583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).