6-morpholin-4-yl-4-(trifluoromethyl)pyridine-2-carboxylic acid

C11H11F3N2O3 — CID 67452898

IUPAC6-morpholin-4-yl-4-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)cc(N2CCOCC2)n1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)7-5-8(10(17)18)15-9(6-7)16-1-3-19-4-2-16/h5-6H,1-4H2,(H,17,18)
InChIKeyHRQUUKVQWLTDMF-UHFFFAOYSA-N
MW276.21 g/mol
LogP1.64
Rot. Bonds2

About 6-morpholin-4-yl-4-(trifluoromethyl)pyridine-2-carboxylic acid

6-morpholin-4-yl-4-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 67452898) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is 6-morpholin-4-yl-4-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-morpholin-4-yl-4-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID67452898
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name6-morpholin-4-yl-4-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)cc(N2CCOCC2)n1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)7-5-8(10(17)18)15-9(6-7)16-1-3-19-4-2-16/h5-6H,1-4H2,(H,17,18)
InChIKeyHRQUUKVQWLTDMF-UHFFFAOYSA-N
XLogP1.64
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-4-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-morpholin-4-yl-4-(trifluoromethyl)pyridine-2-carboxylic acid (CID 67452898) is 6-morpholin-4-yl-4-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-morpholin-4-yl-4-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-morpholin-4-yl-4-(trifluoromethyl)pyridine-2-carboxylic acid is O=C(O)c1cc(C(F)(F)F)cc(N2CCOCC2)n1.
What is the InChIKey of 6-morpholin-4-yl-4-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is HRQUUKVQWLTDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c12-11(13,14)7-5-8(10(17)18)15-9(6-7)16-1-3-19-4-2-16/h5-6H,1-4H2,(H,17,18).
What are the key properties of 6-morpholin-4-yl-4-(trifluoromethyl)pyridine-2-carboxylic acid?
6-morpholin-4-yl-4-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 276.21 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-4-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 67452898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).