2-methoxy-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine

C9H10F3NO2 — CID 70661167

IUPAC2-methoxy-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine
SMILESCOc1cc(O[C@H](C)C(F)(F)F)ccn1
InChIInChI=1S/C9H10F3NO2/c1-6(9(10,11)12)15-7-3-4-13-8(5-7)14-2/h3-6H,1-2H3/t6-/m1/s1
InChIKeyMDLXYXAPVVHDEN-ZCFIWIBFSA-N
MW221.18 g/mol
LogP2.42
Rot. Bonds3

About 2-methoxy-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine

2-methoxy-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine (PubChem CID 70661167) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-methoxy-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine.

Molecular Properties

Compound Name2-methoxy-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine
PubChem CID70661167
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name2-methoxy-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine
SMILESCOc1cc(O[C@H](C)C(F)(F)F)ccn1
InChIInChI=1S/C9H10F3NO2/c1-6(9(10,11)12)15-7-3-4-13-8(5-7)14-2/h3-6H,1-2H3/t6-/m1/s1
InChIKeyMDLXYXAPVVHDEN-ZCFIWIBFSA-N
XLogP2.42
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine?
The IUPAC name of 2-methoxy-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine (CID 70661167) is 2-methoxy-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine.
What is the SMILES notation for 2-methoxy-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine?
The canonical SMILES for 2-methoxy-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine is COc1cc(O[C@H](C)C(F)(F)F)ccn1.
What is the InChIKey of 2-methoxy-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine?
The InChIKey is MDLXYXAPVVHDEN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-6(9(10,11)12)15-7-3-4-13-8(5-7)14-2/h3-6H,1-2H3/t6-/m1/s1.
What are the key properties of 2-methoxy-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine?
2-methoxy-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine has a molecular weight of 221.18 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine is sourced from PubChem (CID 70661167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).