[3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol

C11H12ClF2NO2 — CID 139464524

IUPAC[3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol
SMILESOCC1(c2cc(C(F)F)cc(Cl)n2)CCOC1
InChIInChI=1S/C11H12ClF2NO2/c12-9-4-7(10(13)14)3-8(15-9)11(5-16)1-2-17-6-11/h3-4,10,16H,1-2,5-6H2
InChIKeyJVJQJXAXZWNOQH-UHFFFAOYSA-N
MW263.67 g/mol
LogP2.32
Rot. Bonds3

About [3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol

[3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol (PubChem CID 139464524) has the molecular formula C11H12ClF2NO2 and a molecular weight of 263.67 g/mol. Its IUPAC name is [3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol
PubChem CID139464524
Molecular FormulaC11H12ClF2NO2
Molecular Weight263.67 g/mol
Exact Mass263.05
IUPAC Name[3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol
SMILESOCC1(c2cc(C(F)F)cc(Cl)n2)CCOC1
InChIInChI=1S/C11H12ClF2NO2/c12-9-4-7(10(13)14)3-8(15-9)11(5-16)1-2-17-6-11/h3-4,10,16H,1-2,5-6H2
InChIKeyJVJQJXAXZWNOQH-UHFFFAOYSA-N
XLogP2.32
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.67
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol?
The IUPAC name of [3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol (CID 139464524) is [3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol.
What is the SMILES notation for [3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol?
The canonical SMILES for [3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol is OCC1(c2cc(C(F)F)cc(Cl)n2)CCOC1.
What is the InChIKey of [3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol?
The InChIKey is JVJQJXAXZWNOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO2/c12-9-4-7(10(13)14)3-8(15-9)11(5-16)1-2-17-6-11/h3-4,10,16H,1-2,5-6H2.
What are the key properties of [3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol?
[3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol has a molecular weight of 263.67 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol is sourced from PubChem (CID 139464524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).