2-chloro-6-[(2-methylpropan-2-yl)oxy]pyridine

C9H12ClNO — CID 11984350

IUPAC2-chloro-6-[(2-methylpropan-2-yl)oxy]pyridine
SMILESCC(C)(C)Oc1cccc(Cl)n1
InChIInChI=1S/C9H12ClNO/c1-9(2,3)12-8-6-4-5-7(10)11-8/h4-6H,1-3H3
InChIKeyPLDRTFJRLUKTTA-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.91
Rot. Bonds1

About 2-chloro-6-[(2-methylpropan-2-yl)oxy]pyridine

2-chloro-6-[(2-methylpropan-2-yl)oxy]pyridine (PubChem CID 11984350) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2-chloro-6-[(2-methylpropan-2-yl)oxy]pyridine.

Molecular Properties

Compound Name2-chloro-6-[(2-methylpropan-2-yl)oxy]pyridine
PubChem CID11984350
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2-chloro-6-[(2-methylpropan-2-yl)oxy]pyridine
SMILESCC(C)(C)Oc1cccc(Cl)n1
InChIInChI=1S/C9H12ClNO/c1-9(2,3)12-8-6-4-5-7(10)11-8/h4-6H,1-3H3
InChIKeyPLDRTFJRLUKTTA-UHFFFAOYSA-N
XLogP2.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.91
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 2-chloro-6-[(2-methylpropan-2-yl)oxy]pyridine?
The IUPAC name of 2-chloro-6-[(2-methylpropan-2-yl)oxy]pyridine (CID 11984350) is 2-chloro-6-[(2-methylpropan-2-yl)oxy]pyridine.
What is the SMILES notation for 2-chloro-6-[(2-methylpropan-2-yl)oxy]pyridine?
The canonical SMILES for 2-chloro-6-[(2-methylpropan-2-yl)oxy]pyridine is CC(C)(C)Oc1cccc(Cl)n1.
What is the InChIKey of 2-chloro-6-[(2-methylpropan-2-yl)oxy]pyridine?
The InChIKey is PLDRTFJRLUKTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-9(2,3)12-8-6-4-5-7(10)11-8/h4-6H,1-3H3.
What are the key properties of 2-chloro-6-[(2-methylpropan-2-yl)oxy]pyridine?
2-chloro-6-[(2-methylpropan-2-yl)oxy]pyridine has a molecular weight of 185.65 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-methylpropan-2-yl)oxy]pyridine is sourced from PubChem (CID 11984350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).