4-(bromomethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine

C9H16BrN — CID 117205525

IUPAC4-(bromomethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)N1CC=C(CBr)CC1
InChIInChI=1S/C9H16BrN/c1-8(2)11-5-3-9(7-10)4-6-11/h3,8H,4-7H2,1-2H3
InChIKeyLNBBAWFXIDERBG-UHFFFAOYSA-N
MW218.14 g/mol
LogP2.42
Rot. Bonds2

About 4-(bromomethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine

4-(bromomethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 117205525) has the molecular formula C9H16BrN and a molecular weight of 218.14 g/mol. Its IUPAC name is 4-(bromomethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(bromomethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID117205525
Molecular FormulaC9H16BrN
Molecular Weight218.14 g/mol
Exact Mass217.05
IUPAC Name4-(bromomethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)N1CC=C(CBr)CC1
InChIInChI=1S/C9H16BrN/c1-8(2)11-5-3-9(7-10)4-6-11/h3,8H,4-7H2,1-2H3
InChIKeyLNBBAWFXIDERBG-UHFFFAOYSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(bromomethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine (CID 117205525) is 4-(bromomethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(bromomethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(bromomethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine is CC(C)N1CC=C(CBr)CC1.
What is the InChIKey of 4-(bromomethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is LNBBAWFXIDERBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN/c1-8(2)11-5-3-9(7-10)4-6-11/h3,8H,4-7H2,1-2H3.
What are the key properties of 4-(bromomethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
4-(bromomethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 218.14 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 117205525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).