2-(bromomethyl)-2-methyl-1H-pyridine

C7H10BrN — CID 130346034

IUPAC2-(bromomethyl)-2-methyl-1H-pyridine
SMILESCC1(CBr)C=CC=CN1
InChIInChI=1S/C7H10BrN/c1-7(6-8)4-2-3-5-9-7/h2-5,9H,6H2,1H3
InChIKeyILJNISKBCVMQNQ-UHFFFAOYSA-N
MW188.07 g/mol
LogP1.81
Rot. Bonds1

About 2-(bromomethyl)-2-methyl-1H-pyridine

2-(bromomethyl)-2-methyl-1H-pyridine (PubChem CID 130346034) has the molecular formula C7H10BrN and a molecular weight of 188.07 g/mol. Its IUPAC name is 2-(bromomethyl)-2-methyl-1H-pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-2-methyl-1H-pyridine
PubChem CID130346034
Molecular FormulaC7H10BrN
Molecular Weight188.07 g/mol
Exact Mass187.00
IUPAC Name2-(bromomethyl)-2-methyl-1H-pyridine
SMILESCC1(CBr)C=CC=CN1
InChIInChI=1S/C7H10BrN/c1-7(6-8)4-2-3-5-9-7/h2-5,9H,6H2,1H3
InChIKeyILJNISKBCVMQNQ-UHFFFAOYSA-N
XLogP1.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.07
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-2-methyl-1H-pyridine?
The IUPAC name of 2-(bromomethyl)-2-methyl-1H-pyridine (CID 130346034) is 2-(bromomethyl)-2-methyl-1H-pyridine.
What is the SMILES notation for 2-(bromomethyl)-2-methyl-1H-pyridine?
The canonical SMILES for 2-(bromomethyl)-2-methyl-1H-pyridine is CC1(CBr)C=CC=CN1.
What is the InChIKey of 2-(bromomethyl)-2-methyl-1H-pyridine?
The InChIKey is ILJNISKBCVMQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN/c1-7(6-8)4-2-3-5-9-7/h2-5,9H,6H2,1H3.
What are the key properties of 2-(bromomethyl)-2-methyl-1H-pyridine?
2-(bromomethyl)-2-methyl-1H-pyridine has a molecular weight of 188.07 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-2-methyl-1H-pyridine is sourced from PubChem (CID 130346034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).