5-iodo-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid

C9H7F3INO3 — CID 68851594

IUPAC5-iodo-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid
SMILESCC(Oc1ncc(C(=O)O)cc1I)C(F)(F)F
InChIInChI=1S/C9H7F3INO3/c1-4(9(10,11)12)17-7-6(13)2-5(3-14-7)8(15)16/h2-4H,1H3,(H,15,16)
InChIKeyUYINRONBAXBKBA-UHFFFAOYSA-N
MW361.06 g/mol
LogP2.71
Rot. Bonds3

About 5-iodo-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid

5-iodo-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid (PubChem CID 68851594) has the molecular formula C9H7F3INO3 and a molecular weight of 361.06 g/mol. Its IUPAC name is 5-iodo-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-iodo-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid
PubChem CID68851594
Molecular FormulaC9H7F3INO3
Molecular Weight361.06 g/mol
Exact Mass360.94
IUPAC Name5-iodo-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid
SMILESCC(Oc1ncc(C(=O)O)cc1I)C(F)(F)F
InChIInChI=1S/C9H7F3INO3/c1-4(9(10,11)12)17-7-6(13)2-5(3-14-7)8(15)16/h2-4H,1H3,(H,15,16)
InChIKeyUYINRONBAXBKBA-UHFFFAOYSA-N
XLogP2.71
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.06
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-iodo-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid (CID 68851594) is 5-iodo-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-iodo-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-iodo-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid is CC(Oc1ncc(C(=O)O)cc1I)C(F)(F)F.
What is the InChIKey of 5-iodo-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid?
The InChIKey is UYINRONBAXBKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3INO3/c1-4(9(10,11)12)17-7-6(13)2-5(3-14-7)8(15)16/h2-4H,1H3,(H,15,16).
What are the key properties of 5-iodo-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid?
5-iodo-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid has a molecular weight of 361.06 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 68851594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).