IXYKZPIPOFAJDI-UHFFFAOYSA-N

C₇H₈F₃NO — CID 154325423

About IXYKZPIPOFAJDI-UHFFFAOYSA-N

IXYKZPIPOFAJDI-UHFFFAOYSA-N (PubChem CID 154325423) has the molecular formula C₇H₈F₃NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)-1H-pyridin-2-ol.

Molecular Properties

• Compound Name: IXYKZPIPOFAJDI-UHFFFAOYSA-N
• PubChem CID: 154325423
• Molecular Formula: C₇H₈F₃NO
• Molecular Weight: 179.14 g/mol
• Exact Mass: 179.06
• IUPAC Name: 2-methyl-6-(trifluoromethyl)-1H-pyridin-2-ol
• SMILES: CC1(O)C=CC=C(C(F)(F)F)N1
• InChI: InChI=1S/C7H8F3NO/c1-6(12)4-2-3-5(11-6)7(8,9)10/h2-4,11-12H,1H3
• InChIKey: IXYKZPIPOFAJDI-UHFFFAOYSA-N
• XLogP: 1.30
• TPSA: 32.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	179.14
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of IXYKZPIPOFAJDI-UHFFFAOYSA-N?

The IUPAC name of IXYKZPIPOFAJDI-UHFFFAOYSA-N (CID 154325423) is 2-methyl-6-(trifluoromethyl)-1H-pyridin-2-ol.

What is the SMILES notation for IXYKZPIPOFAJDI-UHFFFAOYSA-N?

The canonical SMILES for IXYKZPIPOFAJDI-UHFFFAOYSA-N is CC1(O)C=CC=C(C(F)(F)F)N1.

What is the InChIKey of IXYKZPIPOFAJDI-UHFFFAOYSA-N?

The InChIKey is IXYKZPIPOFAJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c1-6(12)4-2-3-5(11-6)7(8,9)10/h2-4,11-12H,1H3.

What are the key properties of IXYKZPIPOFAJDI-UHFFFAOYSA-N?

IXYKZPIPOFAJDI-UHFFFAOYSA-N has a molecular weight of 179.14 g/mol, XLogP of 1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for IXYKZPIPOFAJDI-UHFFFAOYSA-N is sourced from PubChem (CID 154325423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154325423 — identifiers, structure, computed properties (public domain)

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