1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxylic acid

C9H10F3NO3 — CID 154942443

IUPAC1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxylic acid
SMILESCC(O)(N1C=CC=C(C(=O)O)C1)C(F)(F)F
InChIInChI=1S/C9H10F3NO3/c1-8(16,9(10,11)12)13-4-2-3-6(5-13)7(14)15/h2-4,16H,5H2,1H3,(H,14,15)
InChIKeyGOTFMJNPJMHRGG-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.10
Rot. Bonds2

About 1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxylic acid

1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxylic acid (PubChem CID 154942443) has the molecular formula C9H10F3NO3 and a molecular weight of 237.18 g/mol. Its IUPAC name is 1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxylic acid
PubChem CID154942443
Molecular FormulaC9H10F3NO3
Molecular Weight237.18 g/mol
Exact Mass237.06
IUPAC Name1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxylic acid
SMILESCC(O)(N1C=CC=C(C(=O)O)C1)C(F)(F)F
InChIInChI=1S/C9H10F3NO3/c1-8(16,9(10,11)12)13-4-2-3-6(5-13)7(14)15/h2-4,16H,5H2,1H3,(H,14,15)
InChIKeyGOTFMJNPJMHRGG-UHFFFAOYSA-N
XLogP1.10
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxylic acid?
The IUPAC name of 1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxylic acid (CID 154942443) is 1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxylic acid?
The canonical SMILES for 1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxylic acid is CC(O)(N1C=CC=C(C(=O)O)C1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxylic acid?
The InChIKey is GOTFMJNPJMHRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3/c1-8(16,9(10,11)12)13-4-2-3-6(5-13)7(14)15/h2-4,16H,5H2,1H3,(H,14,15).
What are the key properties of 1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxylic acid?
1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxylic acid has a molecular weight of 237.18 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxylic acid is sourced from PubChem (CID 154942443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).