2-bromo-1-cyclopropyl-2H-pyridine

C8H10BrN — CID 150389223

IUPAC2-bromo-1-cyclopropyl-2H-pyridine
SMILESBrC1C=CC=CN1C1CC1
InChIInChI=1S/C8H10BrN/c9-8-3-1-2-6-10(8)7-4-5-7/h1-3,6-8H,4-5H2
InChIKeyHBIPPFWOQNYCJK-UHFFFAOYSA-N
MW200.08 g/mol
LogP2.26
Rot. Bonds1

About 2-bromo-1-cyclopropyl-2H-pyridine

2-bromo-1-cyclopropyl-2H-pyridine (PubChem CID 150389223) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is 2-bromo-1-cyclopropyl-2H-pyridine.

Molecular Properties

Compound Name2-bromo-1-cyclopropyl-2H-pyridine
PubChem CID150389223
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name2-bromo-1-cyclopropyl-2H-pyridine
SMILESBrC1C=CC=CN1C1CC1
InChIInChI=1S/C8H10BrN/c9-8-3-1-2-6-10(8)7-4-5-7/h1-3,6-8H,4-5H2
InChIKeyHBIPPFWOQNYCJK-UHFFFAOYSA-N
XLogP2.26
TPSA3.24 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 ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-cyclopropyl-2H-pyridine?
The IUPAC name of 2-bromo-1-cyclopropyl-2H-pyridine (CID 150389223) is 2-bromo-1-cyclopropyl-2H-pyridine.
What is the SMILES notation for 2-bromo-1-cyclopropyl-2H-pyridine?
The canonical SMILES for 2-bromo-1-cyclopropyl-2H-pyridine is BrC1C=CC=CN1C1CC1.
What is the InChIKey of 2-bromo-1-cyclopropyl-2H-pyridine?
The InChIKey is HBIPPFWOQNYCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN/c9-8-3-1-2-6-10(8)7-4-5-7/h1-3,6-8H,4-5H2.
What are the key properties of 2-bromo-1-cyclopropyl-2H-pyridine?
2-bromo-1-cyclopropyl-2H-pyridine has a molecular weight of 200.08 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-cyclopropyl-2H-pyridine is sourced from PubChem (CID 150389223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).