3-(3-bromopentan-2-yl)-6-methylpyridazine

C10H15BrN2 — CID 63560840

IUPAC3-(3-bromopentan-2-yl)-6-methylpyridazine
SMILESCCC(Br)C(C)c1ccc(C)nn1
InChIInChI=1S/C10H15BrN2/c1-4-9(11)8(3)10-6-5-7(2)12-13-10/h5-6,8-9H,4H2,1-3H3
InChIKeyFMCIFISPPJFFHP-UHFFFAOYSA-N
MW243.15 g/mol
LogP3.06
Rot. Bonds3

About 3-(3-bromopentan-2-yl)-6-methylpyridazine

3-(3-bromopentan-2-yl)-6-methylpyridazine (PubChem CID 63560840) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 3-(3-bromopentan-2-yl)-6-methylpyridazine.

Molecular Properties

Compound Name3-(3-bromopentan-2-yl)-6-methylpyridazine
PubChem CID63560840
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name3-(3-bromopentan-2-yl)-6-methylpyridazine
SMILESCCC(Br)C(C)c1ccc(C)nn1
InChIInChI=1S/C10H15BrN2/c1-4-9(11)8(3)10-6-5-7(2)12-13-10/h5-6,8-9H,4H2,1-3H3
InChIKeyFMCIFISPPJFFHP-UHFFFAOYSA-N
XLogP3.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-methyl-2-(6-methylpyridazin-3-yl)butan-1-amine
CID 96743407
3-(6-methylpyridazin-3-yl)-N-propylbutan-2-amine
CID 63199903
(1S)-1-(6-methylpyridazin-3-yl)ethanol
CID 121415126
2-(3-bromopentan-2-yl)-4-methylpyrimidine
CID 63561044
3-methyl-1-(6-methylpyridazin-3-yl)butan-1-ol
CID 130856881
6-(3-bromopentan-2-yl)pyridine-3-sulfonamide
CID 63559497
N-[1-(6-methylpyridazin-3-yl)ethyl]acetamide
CID 170758680
6-(3-bromopentan-2-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282288
2-(3-bromopentan-2-yl)-3-methylquinoxaline
CID 63560070
formamide;3-heptan-2-yl-6-methylpyridazine
CID 176985685
1-(6-methylpyridazin-3-yl)prop-2-en-1-amine
CID 130909691
1-(6-methylpyridazin-3-yl)butan-2-amine
CID 63197252

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromopentan-2-yl)-6-methylpyridazine?
The IUPAC name of 3-(3-bromopentan-2-yl)-6-methylpyridazine (CID 63560840) is 3-(3-bromopentan-2-yl)-6-methylpyridazine.
What is the SMILES notation for 3-(3-bromopentan-2-yl)-6-methylpyridazine?
The canonical SMILES for 3-(3-bromopentan-2-yl)-6-methylpyridazine is CCC(Br)C(C)c1ccc(C)nn1.
What is the InChIKey of 3-(3-bromopentan-2-yl)-6-methylpyridazine?
The InChIKey is FMCIFISPPJFFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-4-9(11)8(3)10-6-5-7(2)12-13-10/h5-6,8-9H,4H2,1-3H3.
What are the key properties of 3-(3-bromopentan-2-yl)-6-methylpyridazine?
3-(3-bromopentan-2-yl)-6-methylpyridazine has a molecular weight of 243.15 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromopentan-2-yl)-6-methylpyridazine is sourced from PubChem (CID 63560840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).