2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid

C9H8F3NO3 — CID 66275211

IUPAC2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid
SMILESCC(Oc1ncccc1C(=O)O)C(F)(F)F
InChIInChI=1S/C9H8F3NO3/c1-5(9(10,11)12)16-7-6(8(14)15)3-2-4-13-7/h2-5H,1H3,(H,14,15)
InChIKeyKHLUBIQGNSAIDB-UHFFFAOYSA-N
MW235.16 g/mol
LogP2.11
Rot. Bonds3

About 2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid

2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid (PubChem CID 66275211) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid
PubChem CID66275211
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid
SMILESCC(Oc1ncccc1C(=O)O)C(F)(F)F
InChIInChI=1S/C9H8F3NO3/c1-5(9(10,11)12)16-7-6(8(14)15)3-2-4-13-7/h2-5H,1H3,(H,14,15)
InChIKeyKHLUBIQGNSAIDB-UHFFFAOYSA-N
XLogP2.11
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboxylic acid
CID 80518417
2-pentan-2-yloxypyridine-3-carboxylic acid
CID 102980912
2-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzoic acid
CID 69287496
N-(3-oxo-3-piperidin-1-ylpropyl)-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
CID 124844949
N-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine oxide
CID 88900417
N-methyl-N-(oxan-4-ylmethyl)-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
CID 99859349
2-(2-aminopropoxy)pyridine-3-carboxylic acid
CID 117096540
3-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzoic acid
CID 66276514
N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
CID 124848721
2-(2-hydroxy-2-methylpropanoyl)oxypyridine-3-carboxylic acid
CID 117096547
2-(2-oxopropoxy)pyridine-3-carboxylic acid
CID 89326483
1-[2-(difluoromethoxy)-3-pyridinyl]ethanone
CID 130837604

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid?
The IUPAC name of 2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid (CID 66275211) is 2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid is CC(Oc1ncccc1C(=O)O)C(F)(F)F.
What is the InChIKey of 2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid?
The InChIKey is KHLUBIQGNSAIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c1-5(9(10,11)12)16-7-6(8(14)15)3-2-4-13-7/h2-5H,1H3,(H,14,15).
What are the key properties of 2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid?
2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid has a molecular weight of 235.16 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 66275211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).