2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyridine

C9H10F3NO — CID 58450344

IUPAC2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyridine
SMILESCO[C@@H](c1ccc(C)nc1)C(F)(F)F
InChIInChI=1S/C9H10F3NO/c1-6-3-4-7(5-13-6)8(14-2)9(10,11)12/h3-5,8H,1-2H3/t8-/m0/s1
InChIKeyDFJSIQOMZFOGNR-QMMMGPOBSA-N
MW205.18 g/mol
LogP2.64
Rot. Bonds2

About 2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyridine

2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyridine (PubChem CID 58450344) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyridine.

Molecular Properties

Compound Name2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyridine
PubChem CID58450344
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyridine
SMILESCO[C@@H](c1ccc(C)nc1)C(F)(F)F
InChIInChI=1S/C9H10F3NO/c1-6-3-4-7(5-13-6)8(14-2)9(10,11)12/h3-5,8H,1-2H3/t8-/m0/s1
InChIKeyDFJSIQOMZFOGNR-QMMMGPOBSA-N
XLogP2.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyridine?
The IUPAC name of 2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyridine (CID 58450344) is 2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyridine.
What is the SMILES notation for 2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyridine?
The canonical SMILES for 2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyridine is CO[C@@H](c1ccc(C)nc1)C(F)(F)F.
What is the InChIKey of 2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyridine?
The InChIKey is DFJSIQOMZFOGNR-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-6-3-4-7(5-13-6)8(14-2)9(10,11)12/h3-5,8H,1-2H3/t8-/m0/s1.
What are the key properties of 2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyridine?
2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyridine has a molecular weight of 205.18 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyridine is sourced from PubChem (CID 58450344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).