4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-3-carboxylic acid

C9H5F6NO3 — CID 102721817

IUPAC4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H5F6NO3/c10-8(11,12)7(9(13,14)15)19-5-1-2-16-3-4(5)6(17)18/h1-3,7H,(H,17,18)
InChIKeyWEZHSYFPZPPKHR-UHFFFAOYSA-N
MW289.13 g/mol
LogP2.65
Rot. Bonds3

About 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-3-carboxylic acid

4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-3-carboxylic acid (PubChem CID 102721817) has the molecular formula C9H5F6NO3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-3-carboxylic acid
PubChem CID102721817
Molecular FormulaC9H5F6NO3
Molecular Weight289.13 g/mol
Exact Mass289.02
IUPAC Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H5F6NO3/c10-8(11,12)7(9(13,14)15)19-5-1-2-16-3-4(5)6(17)18/h1-3,7H,(H,17,18)
InChIKeyWEZHSYFPZPPKHR-UHFFFAOYSA-N
XLogP2.65
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid
CID 215891
2-Phenoxynicotinic acid
CID 123450
3-Pyridinecarboxylic acid, 2-phenoxy-, methyl ester
CID 215890
6-(2,2,2-Trifluoroethoxy)pyridine-3-carboxylic acid
CID 2781028
2-Methoxynicotinic acid
CID 708093
6-(Difluoromethoxy)pyridine-3-carboxylic acid
CID 71303865
2-Ethoxypyridine-3-carboxylic acid
CID 2736345
6-Ethoxypyridine-3-carboxylic acid
CID 6485817
6-(Cyclopentyloxy)pyridine-3-carboxylic acid
CID 16794020
2-(4-Fluorophenoxy)nicotinic acid
CID 605123
Mls003171086
CID 336486
5-(2,2,2-Trifluoroethoxy)pyridine-3-carboxylic acid
CID 63851865

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-3-carboxylic acid?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-3-carboxylic acid (CID 102721817) is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-3-carboxylic acid is O=C(O)c1cnccc1OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-3-carboxylic acid?
The InChIKey is WEZHSYFPZPPKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO3/c10-8(11,12)7(9(13,14)15)19-5-1-2-16-3-4(5)6(17)18/h1-3,7H,(H,17,18).
What are the key properties of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-3-carboxylic acid?
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-3-carboxylic acid has a molecular weight of 289.13 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 102721817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).