(2S)-1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]propan-2-ol

C10H13F2NO2 — CID 175571753

IUPAC(2S)-1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]propan-2-ol
SMILESCc1ccc(C[C@H](C)O)c(OC(F)F)n1
InChIInChI=1S/C10H13F2NO2/c1-6-3-4-8(5-7(2)14)9(13-6)15-10(11)12/h3-4,7,10,14H,5H2,1-2H3/t7-/m0/s1
InChIKeySBTTWPMLROCRJA-ZETCQYMHSA-N
MW217.22 g/mol
LogP1.91
Rot. Bonds4

About (2S)-1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]propan-2-ol

(2S)-1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]propan-2-ol (PubChem CID 175571753) has the molecular formula C10H13F2NO2 and a molecular weight of 217.22 g/mol. Its IUPAC name is (2S)-1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]propan-2-ol
PubChem CID175571753
Molecular FormulaC10H13F2NO2
Molecular Weight217.22 g/mol
Exact Mass217.09
IUPAC Name(2S)-1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]propan-2-ol
SMILESCc1ccc(C[C@H](C)O)c(OC(F)F)n1
InChIInChI=1S/C10H13F2NO2/c1-6-3-4-8(5-7(2)14)9(13-6)15-10(11)12/h3-4,7,10,14H,5H2,1-2H3/t7-/m0/s1
InChIKeySBTTWPMLROCRJA-ZETCQYMHSA-N
XLogP1.91
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]propan-2-ol?
The IUPAC name of (2S)-1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]propan-2-ol (CID 175571753) is (2S)-1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]propan-2-ol.
What is the SMILES notation for (2S)-1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]propan-2-ol?
The canonical SMILES for (2S)-1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]propan-2-ol is Cc1ccc(C[C@H](C)O)c(OC(F)F)n1.
What is the InChIKey of (2S)-1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]propan-2-ol?
The InChIKey is SBTTWPMLROCRJA-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13F2NO2/c1-6-3-4-8(5-7(2)14)9(13-6)15-10(11)12/h3-4,7,10,14H,5H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]propan-2-ol?
(2S)-1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]propan-2-ol has a molecular weight of 217.22 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 175571753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).