2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid

C10H10F3NO3 — CID 79877639

IUPAC2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCC(C)Oc1nc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C10H10F3NO3/c1-5(2)17-8-6(9(15)16)3-4-7(14-8)10(11,12)13/h3-5H,1-2H3,(H,15,16)
InChIKeyLPTFRCQWMJZSCV-UHFFFAOYSA-N
MW249.19 g/mol
LogP2.59
Rot. Bonds3

About 2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 79877639) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID79877639
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCC(C)Oc1nc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C10H10F3NO3/c1-5(2)17-8-6(9(15)16)3-4-7(14-8)10(11,12)13/h3-5H,1-2H3,(H,15,16)
InChIKeyLPTFRCQWMJZSCV-UHFFFAOYSA-N
XLogP2.59
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-iodophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79873647
2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 97035085
2-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 81342167
6-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbothioamide
CID 79877729
2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 131492339
2-(3-methylpentan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877094
2-(3-bromophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876585
2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;nitrous acid
CID 174707233
2-(2,2-difluoroacetyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 162732068
2-chloro-3-propan-2-yloxy-6-(trifluoromethyl)pyridine
CID 170707493
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196672
1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 2782900

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 79877639) is 2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid is CC(C)Oc1nc(C(F)(F)F)ccc1C(=O)O.
What is the InChIKey of 2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is LPTFRCQWMJZSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-5(2)17-8-6(9(15)16)3-4-7(14-8)10(11,12)13/h3-5H,1-2H3,(H,15,16).
What are the key properties of 2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 249.19 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 79877639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).