azane;1-(3-bromopropyl)-3-methyl-2H-pyridine

C9H17BrN2 — CID 174703096

IUPACazane;1-(3-bromopropyl)-3-methyl-2H-pyridine
SMILESCC1=CC=CN(CCCBr)C1.N
InChIInChI=1S/C9H14BrN.H3N/c1-9-4-2-6-11(8-9)7-3-5-10;/h2,4,6H,3,5,7-8H2,1H3;1H3
InChIKeyQGAJDJDSMBZVHM-UHFFFAOYSA-N
MW233.15 g/mol
LogP2.71
Rot. Bonds3

About azane;1-(3-bromopropyl)-3-methyl-2H-pyridine

azane;1-(3-bromopropyl)-3-methyl-2H-pyridine (PubChem CID 174703096) has the molecular formula C9H17BrN2 and a molecular weight of 233.15 g/mol. Its IUPAC name is azane;1-(3-bromopropyl)-3-methyl-2H-pyridine.

Molecular Properties

Compound Nameazane;1-(3-bromopropyl)-3-methyl-2H-pyridine
PubChem CID174703096
Molecular FormulaC9H17BrN2
Molecular Weight233.15 g/mol
Exact Mass232.06
IUPAC Nameazane;1-(3-bromopropyl)-3-methyl-2H-pyridine
SMILESCC1=CC=CN(CCCBr)C1.N
InChIInChI=1S/C9H14BrN.H3N/c1-9-4-2-6-11(8-9)7-3-5-10;/h2,4,6H,3,5,7-8H2,1H3;1H3
InChIKeyQGAJDJDSMBZVHM-UHFFFAOYSA-N
XLogP2.71
TPSA38.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-ethyl-3-(trifluoromethyl)-2H-pyridine
CID 174890502
1-(3-bromopropyl)-2H-pyridine
CID 23151339
3-(bromomethyl)-1-methyl-2H-pyridine
CID 140240408
2-bromo-1-butyl-4-methyl-2H-pyridine
CID 149711608
2-bromo-1-(2-methylpropyl)-2H-pyridine
CID 150050193
2-bromo-3-methyl-1-propan-2-yl-2H-pyridine
CID 151515419
2-bromo-1-cyclopropyl-3-methyl-2H-pyridine
CID 151950571
1-(3-bromopropyl)-3-methyl-2H-pyridine
CID 152020587
2-bromo-1-propyl-2H-pyridine
CID 174866960
3-methyl-1-propyl-2H-pyridine;hydrobromide
CID 174983527
2-bromo-1-(2-methylbutyl)-2H-pyridine
CID 176047132

Frequently Asked Questions

What is the IUPAC name of azane;1-(3-bromopropyl)-3-methyl-2H-pyridine?
The IUPAC name of azane;1-(3-bromopropyl)-3-methyl-2H-pyridine (CID 174703096) is azane;1-(3-bromopropyl)-3-methyl-2H-pyridine.
What is the SMILES notation for azane;1-(3-bromopropyl)-3-methyl-2H-pyridine?
The canonical SMILES for azane;1-(3-bromopropyl)-3-methyl-2H-pyridine is CC1=CC=CN(CCCBr)C1.N.
What is the InChIKey of azane;1-(3-bromopropyl)-3-methyl-2H-pyridine?
The InChIKey is QGAJDJDSMBZVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN.H3N/c1-9-4-2-6-11(8-9)7-3-5-10;/h2,4,6H,3,5,7-8H2,1H3;1H3.
What are the key properties of azane;1-(3-bromopropyl)-3-methyl-2H-pyridine?
azane;1-(3-bromopropyl)-3-methyl-2H-pyridine has a molecular weight of 233.15 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-(3-bromopropyl)-3-methyl-2H-pyridine is sourced from PubChem (CID 174703096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).