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

C11H12ClF2NO2 — CID 139464568

IUPAC[(3R)-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-/m1/s1
InChIKeyJVJQJXAXZWNOQH-LLVKDONJSA-N
MW263.67 g/mol
LogP2.32
Rot. Bonds3

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

[(3R)-3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol (PubChem CID 139464568) has the molecular formula C11H12ClF2NO2 and a molecular weight of 263.67 g/mol. Its IUPAC name is [(3R)-3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol
PubChem CID139464568
Molecular FormulaC11H12ClF2NO2
Molecular Weight263.67 g/mol
Exact Mass263.05
IUPAC Name[(3R)-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-/m1/s1
InChIKeyJVJQJXAXZWNOQH-LLVKDONJSA-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

1-[3-[4-(difluoromethyl)-6-[(3S)-3-(hydroxymethyl)oxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]propan-2-one
CID 159795695
2-chloro-6-[(3S)-3-ethyloxolan-3-yl]pyridine-4-carbonitrile
CID 139464744
[3-[6-bromo-4-(2-methoxyethoxy)-2-pyridinyl]oxolan-3-yl]methanol
CID 139464626
2-chloro-4-(difluoromethyl)-6-(fluoromethyl)pyridine
CID 130095542
[(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol
CID 168870342
[3-(4-bromophenyl)oxolan-3-yl]methanol
CID 142784119
4-chloro-6-ethyl-2-(4-phenyloxan-4-yl)pyrimidine
CID 63082884
2-[[2-chloro-6-(3-methoxyoxolan-3-yl)-4-pyridinyl]oxy]ethanol
CID 139464296
(3R)-3-(6-chloro-4-methyl-2-pyridinyl)oxolane-3-carbaldehyde
CID 139464523
[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106300524
[3-(4-methylthiophen-2-yl)oxolan-3-yl]methanol
CID 175425762
[4-[(4-amino-6-chloro-2-pyridinyl)amino]oxan-4-yl]methanol
CID 114169989

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol?
The IUPAC name of [(3R)-3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol (CID 139464568) is [(3R)-3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol.
What is the SMILES notation for [(3R)-3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol?
The canonical SMILES for [(3R)-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 [(3R)-3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol?
The InChIKey is JVJQJXAXZWNOQH-LLVKDONJSA-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-/m1/s1.
What are the key properties of [(3R)-3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol?
[(3R)-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 [(3R)-3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol is sourced from PubChem (CID 139464568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).