5-bromo-2-chloro-4-[(2-methylpropan-2-yl)oxy]pyridine

C9H11BrClNO — CID 133060770

IUPAC5-bromo-2-chloro-4-[(2-methylpropan-2-yl)oxy]pyridine
SMILESCC(C)(C)Oc1cc(Cl)ncc1Br
InChIInChI=1S/C9H11BrClNO/c1-9(2,3)13-7-4-8(11)12-5-6(7)10/h4-5H,1-3H3
InChIKeyYNZMCAMIEYVGEC-UHFFFAOYSA-N
MW264.55 g/mol
LogP3.67
Rot. Bonds1

About 5-bromo-2-chloro-4-[(2-methylpropan-2-yl)oxy]pyridine

5-bromo-2-chloro-4-[(2-methylpropan-2-yl)oxy]pyridine (PubChem CID 133060770) has the molecular formula C9H11BrClNO and a molecular weight of 264.55 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-[(2-methylpropan-2-yl)oxy]pyridine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-[(2-methylpropan-2-yl)oxy]pyridine
PubChem CID133060770
Molecular FormulaC9H11BrClNO
Molecular Weight264.55 g/mol
Exact Mass262.97
IUPAC Name5-bromo-2-chloro-4-[(2-methylpropan-2-yl)oxy]pyridine
SMILESCC(C)(C)Oc1cc(Cl)ncc1Br
InChIInChI=1S/C9H11BrClNO/c1-9(2,3)13-7-4-8(11)12-5-6(7)10/h4-5H,1-3H3
InChIKeyYNZMCAMIEYVGEC-UHFFFAOYSA-N
XLogP3.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-[(2-methylpropan-2-yl)oxy]pyridine?
The IUPAC name of 5-bromo-2-chloro-4-[(2-methylpropan-2-yl)oxy]pyridine (CID 133060770) is 5-bromo-2-chloro-4-[(2-methylpropan-2-yl)oxy]pyridine.
What is the SMILES notation for 5-bromo-2-chloro-4-[(2-methylpropan-2-yl)oxy]pyridine?
The canonical SMILES for 5-bromo-2-chloro-4-[(2-methylpropan-2-yl)oxy]pyridine is CC(C)(C)Oc1cc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-4-[(2-methylpropan-2-yl)oxy]pyridine?
The InChIKey is YNZMCAMIEYVGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO/c1-9(2,3)13-7-4-8(11)12-5-6(7)10/h4-5H,1-3H3.
What are the key properties of 5-bromo-2-chloro-4-[(2-methylpropan-2-yl)oxy]pyridine?
5-bromo-2-chloro-4-[(2-methylpropan-2-yl)oxy]pyridine has a molecular weight of 264.55 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-[(2-methylpropan-2-yl)oxy]pyridine is sourced from PubChem (CID 133060770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).