2-bromo-1-cyclopropyl-3-methyl-2H-pyridine

C9H12BrN — CID 151950571

IUPAC2-bromo-1-cyclopropyl-3-methyl-2H-pyridine
SMILESCC1=CC=CN(C2CC2)C1Br
InChIInChI=1S/C9H12BrN/c1-7-3-2-6-11(9(7)10)8-4-5-8/h2-3,6,8-9H,4-5H2,1H3
InChIKeyTWOFHRTUJHGFKI-UHFFFAOYSA-N
MW214.11 g/mol
LogP2.65
Rot. Bonds1

About 2-bromo-1-cyclopropyl-3-methyl-2H-pyridine

2-bromo-1-cyclopropyl-3-methyl-2H-pyridine (PubChem CID 151950571) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is 2-bromo-1-cyclopropyl-3-methyl-2H-pyridine.

Molecular Properties

Compound Name2-bromo-1-cyclopropyl-3-methyl-2H-pyridine
PubChem CID151950571
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name2-bromo-1-cyclopropyl-3-methyl-2H-pyridine
SMILESCC1=CC=CN(C2CC2)C1Br
InChIInChI=1S/C9H12BrN/c1-7-3-2-6-11(9(7)10)8-4-5-8/h2-3,6,8-9H,4-5H2,1H3
InChIKeyTWOFHRTUJHGFKI-UHFFFAOYSA-N
XLogP2.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.65
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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Related Compounds

3-(bromomethyl)-1-methyl-2H-pyridine
CID 140240408
2-bromo-1-propan-2-yl-2H-pyridine
CID 149655850
2-bromo-1-cyclopropyl-2H-pyridine
CID 150389223
2-bromo-3-methyl-1-propan-2-yl-2H-pyridine
CID 151515419
1-(3-bromopropyl)-3-methyl-2H-pyridine
CID 152020587
2-bromo-1-cyclobutyl-3-methyl-2H-pyridine
CID 152547965
azane;1-(3-bromopropyl)-3-methyl-2H-pyridine
CID 174703096

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-cyclopropyl-3-methyl-2H-pyridine?
The IUPAC name of 2-bromo-1-cyclopropyl-3-methyl-2H-pyridine (CID 151950571) is 2-bromo-1-cyclopropyl-3-methyl-2H-pyridine.
What is the SMILES notation for 2-bromo-1-cyclopropyl-3-methyl-2H-pyridine?
The canonical SMILES for 2-bromo-1-cyclopropyl-3-methyl-2H-pyridine is CC1=CC=CN(C2CC2)C1Br.
What is the InChIKey of 2-bromo-1-cyclopropyl-3-methyl-2H-pyridine?
The InChIKey is TWOFHRTUJHGFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN/c1-7-3-2-6-11(9(7)10)8-4-5-8/h2-3,6,8-9H,4-5H2,1H3.
What are the key properties of 2-bromo-1-cyclopropyl-3-methyl-2H-pyridine?
2-bromo-1-cyclopropyl-3-methyl-2H-pyridine has a molecular weight of 214.11 g/mol, XLogP of 2.65, 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-3-methyl-2H-pyridine is sourced from PubChem (CID 151950571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).