2-methoxy-6-methoxycarbonylpyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid

C11H10F3NO7 — CID 67507075

IUPAC2-methoxy-6-methoxycarbonylpyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCOC(=O)c1cc(C(=O)O)cc(OC)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H9NO5.C2HF3O2/c1-14-7-4-5(8(11)12)3-6(10-7)9(13)15-2;3-2(4,5)1(6)7/h3-4H,1-2H3,(H,11,12);(H,6,7)
InChIKeySXMZYZIQFTYJMS-UHFFFAOYSA-N
MW325.20 g/mol
LogP1.21
Rot. Bonds3

About 2-methoxy-6-methoxycarbonylpyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid

2-methoxy-6-methoxycarbonylpyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 67507075) has the molecular formula C11H10F3NO7 and a molecular weight of 325.20 g/mol. Its IUPAC name is 2-methoxy-6-methoxycarbonylpyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methoxy-6-methoxycarbonylpyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID67507075
Molecular FormulaC11H10F3NO7
Molecular Weight325.20 g/mol
Exact Mass325.04
IUPAC Name2-methoxy-6-methoxycarbonylpyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCOC(=O)c1cc(C(=O)O)cc(OC)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H9NO5.C2HF3O2/c1-14-7-4-5(8(11)12)3-6(10-7)9(13)15-2;3-2(4,5)1(6)7/h3-4H,1-2H3,(H,11,12);(H,6,7)
InChIKeySXMZYZIQFTYJMS-UHFFFAOYSA-N
XLogP1.21
TPSA123.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methoxycarbonylpyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methoxy-6-methoxycarbonylpyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid (CID 67507075) is 2-methoxy-6-methoxycarbonylpyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methoxy-6-methoxycarbonylpyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methoxy-6-methoxycarbonylpyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid is COC(=O)c1cc(C(=O)O)cc(OC)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methoxy-6-methoxycarbonylpyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is SXMZYZIQFTYJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO5.C2HF3O2/c1-14-7-4-5(8(11)12)3-6(10-7)9(13)15-2;3-2(4,5)1(6)7/h3-4H,1-2H3,(H,11,12);(H,6,7).
What are the key properties of 2-methoxy-6-methoxycarbonylpyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
2-methoxy-6-methoxycarbonylpyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 325.20 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methoxycarbonylpyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67507075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).