4-(4-chlorooxan-2-yl)-3-methylpyridine

C11H14ClNO — CID 130948543

IUPAC4-(4-chlorooxan-2-yl)-3-methylpyridine
SMILESCc1cnccc1C1CC(Cl)CCO1
InChIInChI=1S/C11H14ClNO/c1-8-7-13-4-2-10(8)11-6-9(12)3-5-14-11/h2,4,7,9,11H,3,5-6H2,1H3
InChIKeyZHXGYTUZBFMYRQ-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.85
Rot. Bonds1

About 4-(4-chlorooxan-2-yl)-3-methylpyridine

4-(4-chlorooxan-2-yl)-3-methylpyridine (PubChem CID 130948543) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 4-(4-chlorooxan-2-yl)-3-methylpyridine.

Molecular Properties

Compound Name4-(4-chlorooxan-2-yl)-3-methylpyridine
PubChem CID130948543
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name4-(4-chlorooxan-2-yl)-3-methylpyridine
SMILESCc1cnccc1C1CC(Cl)CCO1
InChIInChI=1S/C11H14ClNO/c1-8-7-13-4-2-10(8)11-6-9(12)3-5-14-11/h2,4,7,9,11H,3,5-6H2,1H3
InChIKeyZHXGYTUZBFMYRQ-UHFFFAOYSA-N
XLogP2.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.85
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 4-(4-chlorooxan-2-yl)-3-methylpyridine?
The IUPAC name of 4-(4-chlorooxan-2-yl)-3-methylpyridine (CID 130948543) is 4-(4-chlorooxan-2-yl)-3-methylpyridine.
What is the SMILES notation for 4-(4-chlorooxan-2-yl)-3-methylpyridine?
The canonical SMILES for 4-(4-chlorooxan-2-yl)-3-methylpyridine is Cc1cnccc1C1CC(Cl)CCO1.
What is the InChIKey of 4-(4-chlorooxan-2-yl)-3-methylpyridine?
The InChIKey is ZHXGYTUZBFMYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-8-7-13-4-2-10(8)11-6-9(12)3-5-14-11/h2,4,7,9,11H,3,5-6H2,1H3.
What are the key properties of 4-(4-chlorooxan-2-yl)-3-methylpyridine?
4-(4-chlorooxan-2-yl)-3-methylpyridine has a molecular weight of 211.69 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorooxan-2-yl)-3-methylpyridine is sourced from PubChem (CID 130948543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).