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

C11H12ClF2NO2 — CID 139464521

IUPAC[(3S)-3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol
SMILESOC[C@@]1(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/t11-/m0/s1
InChIKeyJVJQJXAXZWNOQH-NSHDSACASA-N
MW263.67 g/mol
LogP2.32
Rot. Bonds3

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

[(3S)-3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol (PubChem CID 139464521) has the molecular formula C11H12ClF2NO2 and a molecular weight of 263.67 g/mol. Its IUPAC name is [(3S)-3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol
PubChem CID139464521
Molecular FormulaC11H12ClF2NO2
Molecular Weight263.67 g/mol
Exact Mass263.05
IUPAC Name[(3S)-3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol
SMILESOC[C@@]1(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/t11-/m0/s1
InChIKeyJVJQJXAXZWNOQH-NSHDSACASA-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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Related Compounds

2,4-Pyridinediethanol, 6-methyl-beta,beta'-bis(chlorodifluoromethyl)-beta,beta'-bis(trifluoromethyl)-
CID 24844546
4-Pyridineethanol, 2-chloro-6-(trifluoromethyl)-
CID 86706870
[6-Chloro-2-cyclopropyl-3-(trifluoromethyl)pyridin-4-yl]methanol
CID 122455803
2-[6-Chloro-3-(trifluoromethyl)-2-pyridinyl]ethanol
CID 135155149
2-chloro-4-(difluoromethyl)-6-(3,6-dihydro-2H-pyran-4-yl)pyridine
CID 139464458
[3-[6-Chloro-4-(difluoromethyl)pyridin-2-yl]oxolan-3-yl]methanol
CID 139464524
[(3R)-3-[6-chloro-4-(difluoromethyl)pyridin-2-yl]oxolan-3-yl]methanol
CID 139464568
3-[6-Chloro-4-(difluoromethyl)pyridin-2-yl]oxolane-3-carbaldehyde
CID 139501281
Ethane;4-ethyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine
CID 164559510
Tert-butyl 3-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 166108977
Ethane;4-methyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine
CID 168880297
4-Tert-butyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine
CID 169878576

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol?
The IUPAC name of [(3S)-3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol (CID 139464521) is [(3S)-3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol.
What is the SMILES notation for [(3S)-3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol?
The canonical SMILES for [(3S)-3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol is OC[C@@]1(c2cc(C(F)F)cc(Cl)n2)CCOC1.
What is the InChIKey of [(3S)-3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol?
The InChIKey is JVJQJXAXZWNOQH-NSHDSACASA-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/t11-/m0/s1.
What are the key properties of [(3S)-3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol?
[(3S)-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 [(3S)-3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol is sourced from PubChem (CID 139464521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).