5-(1,2,2,2-tetrafluoroethyl)pyridine-2-carboxylic acid

C8H5F4NO2 — CID 167719938

IUPAC5-(1,2,2,2-tetrafluoroethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(F)C(F)(F)F)cn1
InChIInChI=1S/C8H5F4NO2/c9-6(8(10,11)12)4-1-2-5(7(14)15)13-3-4/h1-3,6H,(H,14,15)
InChIKeySNMWEVNJTCZMRS-UHFFFAOYSA-N
MW223.12 g/mol
LogP2.35
Rot. Bonds2

About 5-(1,2,2,2-tetrafluoroethyl)pyridine-2-carboxylic acid

5-(1,2,2,2-tetrafluoroethyl)pyridine-2-carboxylic acid (PubChem CID 167719938) has the molecular formula C8H5F4NO2 and a molecular weight of 223.12 g/mol. Its IUPAC name is 5-(1,2,2,2-tetrafluoroethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,2,2,2-tetrafluoroethyl)pyridine-2-carboxylic acid
PubChem CID167719938
Molecular FormulaC8H5F4NO2
Molecular Weight223.12 g/mol
Exact Mass223.03
IUPAC Name5-(1,2,2,2-tetrafluoroethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(F)C(F)(F)F)cn1
InChIInChI=1S/C8H5F4NO2/c9-6(8(10,11)12)4-1-2-5(7(14)15)13-3-4/h1-3,6H,(H,14,15)
InChIKeySNMWEVNJTCZMRS-UHFFFAOYSA-N
XLogP2.35
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.12
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,2,2-tetrafluoroethyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(1,2,2,2-tetrafluoroethyl)pyridine-2-carboxylic acid (CID 167719938) is 5-(1,2,2,2-tetrafluoroethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(1,2,2,2-tetrafluoroethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(1,2,2,2-tetrafluoroethyl)pyridine-2-carboxylic acid is O=C(O)c1ccc(C(F)C(F)(F)F)cn1.
What is the InChIKey of 5-(1,2,2,2-tetrafluoroethyl)pyridine-2-carboxylic acid?
The InChIKey is SNMWEVNJTCZMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO2/c9-6(8(10,11)12)4-1-2-5(7(14)15)13-3-4/h1-3,6H,(H,14,15).
What are the key properties of 5-(1,2,2,2-tetrafluoroethyl)pyridine-2-carboxylic acid?
5-(1,2,2,2-tetrafluoroethyl)pyridine-2-carboxylic acid has a molecular weight of 223.12 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,2,2-tetrafluoroethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 167719938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).