2-propyl-6-(3,3,3-trifluoropropoxy)pyridine-4-carboxylic acid

C12H14F3NO3 — CID 113379652

IUPAC2-propyl-6-(3,3,3-trifluoropropoxy)pyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(OCCC(F)(F)F)n1
InChIInChI=1S/C12H14F3NO3/c1-2-3-9-6-8(11(17)18)7-10(16-9)19-5-4-12(13,14)15/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyOBAYOGUDNVTTBZ-UHFFFAOYSA-N
MW277.24 g/mol
LogP3.06
Rot. Bonds6

About 2-propyl-6-(3,3,3-trifluoropropoxy)pyridine-4-carboxylic acid

2-propyl-6-(3,3,3-trifluoropropoxy)pyridine-4-carboxylic acid (PubChem CID 113379652) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 2-propyl-6-(3,3,3-trifluoropropoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-propyl-6-(3,3,3-trifluoropropoxy)pyridine-4-carboxylic acid
PubChem CID113379652
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name2-propyl-6-(3,3,3-trifluoropropoxy)pyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(OCCC(F)(F)F)n1
InChIInChI=1S/C12H14F3NO3/c1-2-3-9-6-8(11(17)18)7-10(16-9)19-5-4-12(13,14)15/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyOBAYOGUDNVTTBZ-UHFFFAOYSA-N
XLogP3.06
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-6-(3,3,3-trifluoropropoxy)pyridine-4-carboxylic acid?
The IUPAC name of 2-propyl-6-(3,3,3-trifluoropropoxy)pyridine-4-carboxylic acid (CID 113379652) is 2-propyl-6-(3,3,3-trifluoropropoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-propyl-6-(3,3,3-trifluoropropoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 2-propyl-6-(3,3,3-trifluoropropoxy)pyridine-4-carboxylic acid is CCCc1cc(C(=O)O)cc(OCCC(F)(F)F)n1.
What is the InChIKey of 2-propyl-6-(3,3,3-trifluoropropoxy)pyridine-4-carboxylic acid?
The InChIKey is OBAYOGUDNVTTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-2-3-9-6-8(11(17)18)7-10(16-9)19-5-4-12(13,14)15/h6-7H,2-5H2,1H3,(H,17,18).
What are the key properties of 2-propyl-6-(3,3,3-trifluoropropoxy)pyridine-4-carboxylic acid?
2-propyl-6-(3,3,3-trifluoropropoxy)pyridine-4-carboxylic acid has a molecular weight of 277.24 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-6-(3,3,3-trifluoropropoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 113379652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).