2-bromo-6-methyl-3-propan-2-yloxypyridine

C9H12BrNO — CID 154814935

IUPAC2-bromo-6-methyl-3-propan-2-yloxypyridine
SMILESCc1ccc(OC(C)C)c(Br)n1
InChIInChI=1S/C9H12BrNO/c1-6(2)12-8-5-4-7(3)11-9(8)10/h4-6H,1-3H3
InChIKeyMNTGKCIXEADFMK-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.94
Rot. Bonds2

About 2-bromo-6-methyl-3-propan-2-yloxypyridine

2-bromo-6-methyl-3-propan-2-yloxypyridine (PubChem CID 154814935) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 2-bromo-6-methyl-3-propan-2-yloxypyridine.

Molecular Properties

Compound Name2-bromo-6-methyl-3-propan-2-yloxypyridine
PubChem CID154814935
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name2-bromo-6-methyl-3-propan-2-yloxypyridine
SMILESCc1ccc(OC(C)C)c(Br)n1
InChIInChI=1S/C9H12BrNO/c1-6(2)12-8-5-4-7(3)11-9(8)10/h4-6H,1-3H3
InChIKeyMNTGKCIXEADFMK-UHFFFAOYSA-N
XLogP2.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methyl-3-propan-2-yloxypyridine?
The IUPAC name of 2-bromo-6-methyl-3-propan-2-yloxypyridine (CID 154814935) is 2-bromo-6-methyl-3-propan-2-yloxypyridine.
What is the SMILES notation for 2-bromo-6-methyl-3-propan-2-yloxypyridine?
The canonical SMILES for 2-bromo-6-methyl-3-propan-2-yloxypyridine is Cc1ccc(OC(C)C)c(Br)n1.
What is the InChIKey of 2-bromo-6-methyl-3-propan-2-yloxypyridine?
The InChIKey is MNTGKCIXEADFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-6(2)12-8-5-4-7(3)11-9(8)10/h4-6H,1-3H3.
What are the key properties of 2-bromo-6-methyl-3-propan-2-yloxypyridine?
2-bromo-6-methyl-3-propan-2-yloxypyridine has a molecular weight of 230.10 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methyl-3-propan-2-yloxypyridine is sourced from PubChem (CID 154814935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).