2-chloro-3-(3-fluorooxetan-3-yl)-6-methylpyridine

C9H9ClFNO — CID 90202646

IUPAC2-chloro-3-(3-fluorooxetan-3-yl)-6-methylpyridine
SMILESCc1ccc(C2(F)COC2)c(Cl)n1
InChIInChI=1S/C9H9ClFNO/c1-6-2-3-7(8(10)12-6)9(11)4-13-5-9/h2-3H,4-5H2,1H3
InChIKeyYBHDCHNUGMDEHO-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.24
Rot. Bonds1

About 2-chloro-3-(3-fluorooxetan-3-yl)-6-methylpyridine

2-chloro-3-(3-fluorooxetan-3-yl)-6-methylpyridine (PubChem CID 90202646) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 2-chloro-3-(3-fluorooxetan-3-yl)-6-methylpyridine.

Molecular Properties

Compound Name2-chloro-3-(3-fluorooxetan-3-yl)-6-methylpyridine
PubChem CID90202646
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name2-chloro-3-(3-fluorooxetan-3-yl)-6-methylpyridine
SMILESCc1ccc(C2(F)COC2)c(Cl)n1
InChIInChI=1S/C9H9ClFNO/c1-6-2-3-7(8(10)12-6)9(11)4-13-5-9/h2-3H,4-5H2,1H3
InChIKeyYBHDCHNUGMDEHO-UHFFFAOYSA-N
XLogP2.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.24
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-3-(3-fluorooxetan-3-yl)-6-methylpyridine?
The IUPAC name of 2-chloro-3-(3-fluorooxetan-3-yl)-6-methylpyridine (CID 90202646) is 2-chloro-3-(3-fluorooxetan-3-yl)-6-methylpyridine.
What is the SMILES notation for 2-chloro-3-(3-fluorooxetan-3-yl)-6-methylpyridine?
The canonical SMILES for 2-chloro-3-(3-fluorooxetan-3-yl)-6-methylpyridine is Cc1ccc(C2(F)COC2)c(Cl)n1.
What is the InChIKey of 2-chloro-3-(3-fluorooxetan-3-yl)-6-methylpyridine?
The InChIKey is YBHDCHNUGMDEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c1-6-2-3-7(8(10)12-6)9(11)4-13-5-9/h2-3H,4-5H2,1H3.
What are the key properties of 2-chloro-3-(3-fluorooxetan-3-yl)-6-methylpyridine?
2-chloro-3-(3-fluorooxetan-3-yl)-6-methylpyridine has a molecular weight of 201.63 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(3-fluorooxetan-3-yl)-6-methylpyridine is sourced from PubChem (CID 90202646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).