6-(4-chlorophenyl)-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine-2-carboxylic acid

C14H10ClF3N2O3 — CID 66686790

IUPAC6-(4-chlorophenyl)-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine-2-carboxylic acid
SMILESCC(Oc1ncc(C(=O)O)nc1-c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C14H10ClF3N2O3/c1-7(14(16,17)18)23-12-11(8-2-4-9(15)5-3-8)20-10(6-19-12)13(21)22/h2-7H,1H3,(H,21,22)
InChIKeyZDVQTSKJDVDIIN-UHFFFAOYSA-N
MW346.69 g/mol
LogP3.82
Rot. Bonds4

About 6-(4-chlorophenyl)-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine-2-carboxylic acid

6-(4-chlorophenyl)-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine-2-carboxylic acid (PubChem CID 66686790) has the molecular formula C14H10ClF3N2O3 and a molecular weight of 346.69 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine-2-carboxylic acid
PubChem CID66686790
Molecular FormulaC14H10ClF3N2O3
Molecular Weight346.69 g/mol
Exact Mass346.03
IUPAC Name6-(4-chlorophenyl)-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine-2-carboxylic acid
SMILESCC(Oc1ncc(C(=O)O)nc1-c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C14H10ClF3N2O3/c1-7(14(16,17)18)23-12-11(8-2-4-9(15)5-3-8)20-10(6-19-12)13(21)22/h2-7H,1H3,(H,21,22)
InChIKeyZDVQTSKJDVDIIN-UHFFFAOYSA-N
XLogP3.82
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.69
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(4-chlorophenyl)-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine-2-carboxylic acid (CID 66686790) is 6-(4-chlorophenyl)-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(4-chlorophenyl)-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(4-chlorophenyl)-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine-2-carboxylic acid is CC(Oc1ncc(C(=O)O)nc1-c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of 6-(4-chlorophenyl)-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine-2-carboxylic acid?
The InChIKey is ZDVQTSKJDVDIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O3/c1-7(14(16,17)18)23-12-11(8-2-4-9(15)5-3-8)20-10(6-19-12)13(21)22/h2-7H,1H3,(H,21,22).
What are the key properties of 6-(4-chlorophenyl)-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine-2-carboxylic acid?
6-(4-chlorophenyl)-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine-2-carboxylic acid has a molecular weight of 346.69 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66686790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).