5-(3,3,3-trifluoropropoxy)pyridine-3-carboxylic acid

C9H8F3NO3 — CID 64553523

IUPAC5-(3,3,3-trifluoropropoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCCC(F)(F)F)c1
InChIInChI=1S/C9H8F3NO3/c10-9(11,12)1-2-16-7-3-6(8(14)15)4-13-5-7/h3-5H,1-2H2,(H,14,15)
InChIKeyKUEMOARWOWITII-UHFFFAOYSA-N
MW235.16 g/mol
LogP2.11
Rot. Bonds4

About 5-(3,3,3-trifluoropropoxy)pyridine-3-carboxylic acid

5-(3,3,3-trifluoropropoxy)pyridine-3-carboxylic acid (PubChem CID 64553523) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is 5-(3,3,3-trifluoropropoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3,3,3-trifluoropropoxy)pyridine-3-carboxylic acid
PubChem CID64553523
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name5-(3,3,3-trifluoropropoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCCC(F)(F)F)c1
InChIInChI=1S/C9H8F3NO3/c10-9(11,12)1-2-16-7-3-6(8(14)15)4-13-5-7/h3-5H,1-2H2,(H,14,15)
InChIKeyKUEMOARWOWITII-UHFFFAOYSA-N
XLogP2.11
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

5-[2-(dimethylamino)ethoxy]pyridine-3-carboxylic acid
CID 4738593
5-butoxypyridine-3-carboxylic acid
CID 63851154
5-(4-methoxybutoxy)pyridine-3-carboxylic acid
CID 104646807
5-(5-hydroxypentoxy)pyridine-3-carboxylic acid
CID 63851859
5-hexoxypyridine-3-carboxylic acid
CID 63850317
5-[4-(dimethylamino)-4-oxobutoxy]pyridine-3-carboxylic acid
CID 63852203
5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid
CID 63851505
[5-(3,3,3-trifluoropropoxy)-3-pyridinyl]boronic acid
CID 64565282
5-[3-(4-chlorophenoxy)propoxy]pyridine-3-carboxylic acid
CID 63852389
5-(2-pyridin-4-ylethoxy)pyridine-3-carboxylic acid
CID 55256220
5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid
CID 63851857
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]pyridine-3-carboxylic acid
CID 167741543

Frequently Asked Questions

What is the IUPAC name of 5-(3,3,3-trifluoropropoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-(3,3,3-trifluoropropoxy)pyridine-3-carboxylic acid (CID 64553523) is 5-(3,3,3-trifluoropropoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(3,3,3-trifluoropropoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(3,3,3-trifluoropropoxy)pyridine-3-carboxylic acid is O=C(O)c1cncc(OCCC(F)(F)F)c1.
What is the InChIKey of 5-(3,3,3-trifluoropropoxy)pyridine-3-carboxylic acid?
The InChIKey is KUEMOARWOWITII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c10-9(11,12)1-2-16-7-3-6(8(14)15)4-13-5-7/h3-5H,1-2H2,(H,14,15).
What are the key properties of 5-(3,3,3-trifluoropropoxy)pyridine-3-carboxylic acid?
5-(3,3,3-trifluoropropoxy)pyridine-3-carboxylic acid has a molecular weight of 235.16 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoropropoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 64553523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).