5-chloro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridin-3-ol

C8H7ClF3NO2 — CID 58042457

IUPAC5-chloro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridin-3-ol
SMILESC[C@H](Oc1ncc(O)cc1Cl)C(F)(F)F
InChIInChI=1S/C8H7ClF3NO2/c1-4(8(10,11)12)15-7-6(9)2-5(14)3-13-7/h2-4,14H,1H3/t4-/m0/s1
InChIKeyUMSMCVRZFPMFCF-BYPYZUCNSA-N
MW241.60 g/mol
LogP2.77
Rot. Bonds2

About 5-chloro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridin-3-ol

5-chloro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridin-3-ol (PubChem CID 58042457) has the molecular formula C8H7ClF3NO2 and a molecular weight of 241.60 g/mol. Its IUPAC name is 5-chloro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridin-3-ol.

Molecular Properties

Compound Name5-chloro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridin-3-ol
PubChem CID58042457
Molecular FormulaC8H7ClF3NO2
Molecular Weight241.60 g/mol
Exact Mass241.01
IUPAC Name5-chloro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridin-3-ol
SMILESC[C@H](Oc1ncc(O)cc1Cl)C(F)(F)F
InChIInChI=1S/C8H7ClF3NO2/c1-4(8(10,11)12)15-7-6(9)2-5(14)3-13-7/h2-4,14H,1H3/t4-/m0/s1
InChIKeyUMSMCVRZFPMFCF-BYPYZUCNSA-N
XLogP2.77
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.60
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridin-3-ol?
The IUPAC name of 5-chloro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridin-3-ol (CID 58042457) is 5-chloro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridin-3-ol.
What is the SMILES notation for 5-chloro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridin-3-ol?
The canonical SMILES for 5-chloro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridin-3-ol is C[C@H](Oc1ncc(O)cc1Cl)C(F)(F)F.
What is the InChIKey of 5-chloro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridin-3-ol?
The InChIKey is UMSMCVRZFPMFCF-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H7ClF3NO2/c1-4(8(10,11)12)15-7-6(9)2-5(14)3-13-7/h2-4,14H,1H3/t4-/m0/s1.
What are the key properties of 5-chloro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridin-3-ol?
5-chloro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridin-3-ol has a molecular weight of 241.60 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridin-3-ol is sourced from PubChem (CID 58042457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).