5-(bromomethyl)-2-propan-2-yloxypyridine

C9H12BrNO — CID 130153198

IUPAC5-(bromomethyl)-2-propan-2-yloxypyridine
SMILESCC(C)Oc1ccc(CBr)cn1
InChIInChI=1S/C9H12BrNO/c1-7(2)12-9-4-3-8(5-10)6-11-9/h3-4,6-7H,5H2,1-2H3
InChIKeyKMPYHWSHAYULPS-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.76
Rot. Bonds3

About 5-(bromomethyl)-2-propan-2-yloxypyridine

5-(bromomethyl)-2-propan-2-yloxypyridine (PubChem CID 130153198) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 5-(bromomethyl)-2-propan-2-yloxypyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-propan-2-yloxypyridine
PubChem CID130153198
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name5-(bromomethyl)-2-propan-2-yloxypyridine
SMILESCC(C)Oc1ccc(CBr)cn1
InChIInChI=1S/C9H12BrNO/c1-7(2)12-9-4-3-8(5-10)6-11-9/h3-4,6-7H,5H2,1-2H3
InChIKeyKMPYHWSHAYULPS-UHFFFAOYSA-N
XLogP2.76
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-propan-2-yloxypyridine?
The IUPAC name of 5-(bromomethyl)-2-propan-2-yloxypyridine (CID 130153198) is 5-(bromomethyl)-2-propan-2-yloxypyridine.
What is the SMILES notation for 5-(bromomethyl)-2-propan-2-yloxypyridine?
The canonical SMILES for 5-(bromomethyl)-2-propan-2-yloxypyridine is CC(C)Oc1ccc(CBr)cn1.
What is the InChIKey of 5-(bromomethyl)-2-propan-2-yloxypyridine?
The InChIKey is KMPYHWSHAYULPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-7(2)12-9-4-3-8(5-10)6-11-9/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 5-(bromomethyl)-2-propan-2-yloxypyridine?
5-(bromomethyl)-2-propan-2-yloxypyridine has a molecular weight of 230.10 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-propan-2-yloxypyridine is sourced from PubChem (CID 130153198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).