3-propyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid

C11H12F3NO3 — CID 154005807

IUPAC3-propyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
SMILESCCCc1c(OCC(F)(F)F)ccnc1C(=O)O
InChIInChI=1S/C11H12F3NO3/c1-2-3-7-8(18-6-11(12,13)14)4-5-15-9(7)10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)
InChIKeyRBLAULJTHQFZDG-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.67
Rot. Bonds5

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

3-propyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid (PubChem CID 154005807) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 3-propyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-propyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
PubChem CID154005807
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name3-propyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
SMILESCCCc1c(OCC(F)(F)F)ccnc1C(=O)O
InChIInChI=1S/C11H12F3NO3/c1-2-3-7-8(18-6-11(12,13)14)4-5-15-9(7)10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)
InChIKeyRBLAULJTHQFZDG-UHFFFAOYSA-N
XLogP2.67
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,2,2-Trifluoroethoxy)pyridine-2-carboxylic acid
CID 57475854
2-Hydroxymethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine
CID 11229760
4-[2-[2-Phenylmethoxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid
CID 10310313
Picolinic acid, 5-(p-tolyloxy)-
CID 3055222
5-Butoxypicolinic acid
CID 173872
4-(Trifluoromethoxy)pyridine-2-carboxylic acid
CID 86276825
4-Methoxypyridine-2-carboxylic acid
CID 2050099
5-(Benzyloxy)pyridine-2-carboxylic acid
CID 18379352
3-(2,2,2-Trifluoroethoxy)pyridine-2-carboxylic acid
CID 57475879
Methyl 4-methoxypyridine-2-carboxylate
CID 1519345
5-Propoxypyridine-2-carboxylic acid
CID 12919808
3-[[6-(Trifluoromethyl)pyridin-3-yl]oxymethyl]benzoic acid
CID 155154076

Frequently Asked Questions

What is the IUPAC name of 3-propyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-propyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid (CID 154005807) is 3-propyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-propyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-propyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid is CCCc1c(OCC(F)(F)F)ccnc1C(=O)O.
What is the InChIKey of 3-propyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
The InChIKey is RBLAULJTHQFZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-2-3-7-8(18-6-11(12,13)14)4-5-15-9(7)10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 3-propyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
3-propyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid has a molecular weight of 263.21 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 154005807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).