2-bromo-3-propan-2-ylpyridine

C8H10BrN — CID 23436869

IUPAC2-bromo-3-propan-2-ylpyridine
SMILESCC(C)c1cccnc1Br
InChIInChI=1S/C8H10BrN/c1-6(2)7-4-3-5-10-8(7)9/h3-6H,1-2H3
InChIKeyJEBINPKMSQABNA-UHFFFAOYSA-N
MW200.08 g/mol
LogP2.97
Rot. Bonds1

About 2-bromo-3-propan-2-ylpyridine

2-bromo-3-propan-2-ylpyridine (PubChem CID 23436869) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is 2-bromo-3-propan-2-ylpyridine.

Molecular Properties

Compound Name2-bromo-3-propan-2-ylpyridine
PubChem CID23436869
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name2-bromo-3-propan-2-ylpyridine
SMILESCC(C)c1cccnc1Br
InChIInChI=1S/C8H10BrN/c1-6(2)7-4-3-5-10-8(7)9/h3-6H,1-2H3
InChIKeyJEBINPKMSQABNA-UHFFFAOYSA-N
XLogP2.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-3-propan-2-ylpyridine?
The IUPAC name of 2-bromo-3-propan-2-ylpyridine (CID 23436869) is 2-bromo-3-propan-2-ylpyridine.
What is the SMILES notation for 2-bromo-3-propan-2-ylpyridine?
The canonical SMILES for 2-bromo-3-propan-2-ylpyridine is CC(C)c1cccnc1Br.
What is the InChIKey of 2-bromo-3-propan-2-ylpyridine?
The InChIKey is JEBINPKMSQABNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN/c1-6(2)7-4-3-5-10-8(7)9/h3-6H,1-2H3.
What are the key properties of 2-bromo-3-propan-2-ylpyridine?
2-bromo-3-propan-2-ylpyridine has a molecular weight of 200.08 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-propan-2-ylpyridine is sourced from PubChem (CID 23436869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).