4,6-bis(trifluoromethyl)pyridine-2-carboxylic acid

C8H3F6NO2 — CID 30772742

IUPAC4,6-bis(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C8H3F6NO2/c9-7(10,11)3-1-4(6(16)17)15-5(2-3)8(12,13)14/h1-2H,(H,16,17)
InChIKeyVZBWSFCHRAYUMY-UHFFFAOYSA-N
MW259.11 g/mol
LogP2.82
Rot. Bonds1

About 4,6-bis(trifluoromethyl)pyridine-2-carboxylic acid

4,6-bis(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 30772742) has the molecular formula C8H3F6NO2 and a molecular weight of 259.11 g/mol. Its IUPAC name is 4,6-bis(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4,6-bis(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID30772742
Molecular FormulaC8H3F6NO2
Molecular Weight259.11 g/mol
Exact Mass259.01
IUPAC Name4,6-bis(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C8H3F6NO2/c9-7(10,11)3-1-4(6(16)17)15-5(2-3)8(12,13)14/h1-2H,(H,16,17)
InChIKeyVZBWSFCHRAYUMY-UHFFFAOYSA-N
XLogP2.82
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 4,6-bis(trifluoromethyl)pyridine-2-carboxylic acid (CID 30772742) is 4,6-bis(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4,6-bis(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4,6-bis(trifluoromethyl)pyridine-2-carboxylic acid is O=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)n1.
What is the InChIKey of 4,6-bis(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is VZBWSFCHRAYUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6NO2/c9-7(10,11)3-1-4(6(16)17)15-5(2-3)8(12,13)14/h1-2H,(H,16,17).
What are the key properties of 4,6-bis(trifluoromethyl)pyridine-2-carboxylic acid?
4,6-bis(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 259.11 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 30772742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).