6-bromo-1-propan-2-yl-2H-pyridine

C8H12BrN — CID 56631621

IUPAC6-bromo-1-propan-2-yl-2H-pyridine
SMILESCC(C)N1CC=CC=C1Br
InChIInChI=1S/C8H12BrN/c1-7(2)10-6-4-3-5-8(10)9/h3-5,7H,6H2,1-2H3
InChIKeyVPRKQMBLVWVWFC-UHFFFAOYSA-N
MW202.09 g/mol
LogP2.50
Rot. Bonds1

About 6-bromo-1-propan-2-yl-2H-pyridine

6-bromo-1-propan-2-yl-2H-pyridine (PubChem CID 56631621) has the molecular formula C8H12BrN and a molecular weight of 202.09 g/mol. Its IUPAC name is 6-bromo-1-propan-2-yl-2H-pyridine.

Molecular Properties

Compound Name6-bromo-1-propan-2-yl-2H-pyridine
PubChem CID56631621
Molecular FormulaC8H12BrN
Molecular Weight202.09 g/mol
Exact Mass201.02
IUPAC Name6-bromo-1-propan-2-yl-2H-pyridine
SMILESCC(C)N1CC=CC=C1Br
InChIInChI=1S/C8H12BrN/c1-7(2)10-6-4-3-5-8(10)9/h3-5,7H,6H2,1-2H3
InChIKeyVPRKQMBLVWVWFC-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.09
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-propan-2-yl-2H-pyridine?
The IUPAC name of 6-bromo-1-propan-2-yl-2H-pyridine (CID 56631621) is 6-bromo-1-propan-2-yl-2H-pyridine.
What is the SMILES notation for 6-bromo-1-propan-2-yl-2H-pyridine?
The canonical SMILES for 6-bromo-1-propan-2-yl-2H-pyridine is CC(C)N1CC=CC=C1Br.
What is the InChIKey of 6-bromo-1-propan-2-yl-2H-pyridine?
The InChIKey is VPRKQMBLVWVWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN/c1-7(2)10-6-4-3-5-8(10)9/h3-5,7H,6H2,1-2H3.
What are the key properties of 6-bromo-1-propan-2-yl-2H-pyridine?
6-bromo-1-propan-2-yl-2H-pyridine has a molecular weight of 202.09 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-propan-2-yl-2H-pyridine is sourced from PubChem (CID 56631621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).