2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carboxylic acid

C10H8F3NO2 — CID 84694269

IUPAC2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)nc(C(F)(F)F)c1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)8-4-6(9(15)16)3-7(14-8)5-1-2-5/h3-5H,1-2H2,(H,15,16)
InChIKeySAZMXYGRFBABPD-UHFFFAOYSA-N
MW231.17 g/mol
LogP2.68
Rot. Bonds2

About 2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carboxylic acid

2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carboxylic acid (PubChem CID 84694269) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carboxylic acid
PubChem CID84694269
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)nc(C(F)(F)F)c1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)8-4-6(9(15)16)3-7(14-8)5-1-2-5/h3-5H,1-2H2,(H,15,16)
InChIKeySAZMXYGRFBABPD-UHFFFAOYSA-N
XLogP2.68
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carboxylic acid (CID 84694269) is 2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carboxylic acid is O=C(O)c1cc(C2CC2)nc(C(F)(F)F)c1.
What is the InChIKey of 2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carboxylic acid?
The InChIKey is SAZMXYGRFBABPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-6(9(15)16)3-7(14-8)5-1-2-5/h3-5H,1-2H2,(H,15,16).
What are the key properties of 2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carboxylic acid?
2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carboxylic acid has a molecular weight of 231.17 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 84694269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).