2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid

C12H15NO5 — CID 170171990

IUPAC2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
SMILESCOc1ncc(C(=O)OC(C)(C)C)cc1C(=O)O
InChIInChI=1S/C12H15NO5/c1-12(2,3)18-11(16)7-5-8(10(14)15)9(17-4)13-6-7/h5-6H,1-4H3,(H,14,15)
InChIKeyYTVLAWMAFSETTM-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.74
Rot. Bonds3

About 2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid

2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid (PubChem CID 170171990) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
PubChem CID170171990
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
SMILESCOc1ncc(C(=O)OC(C)(C)C)cc1C(=O)O
InChIInChI=1S/C12H15NO5/c1-12(2,3)18-11(16)7-5-8(10(14)15)9(17-4)13-6-7/h5-6H,1-4H3,(H,14,15)
InChIKeyYTVLAWMAFSETTM-UHFFFAOYSA-N
XLogP1.74
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid (CID 170171990) is 2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid is COc1ncc(C(=O)OC(C)(C)C)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid?
The InChIKey is YTVLAWMAFSETTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-12(2,3)18-11(16)7-5-8(10(14)15)9(17-4)13-6-7/h5-6H,1-4H3,(H,14,15).
What are the key properties of 2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid?
2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid has a molecular weight of 253.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 170171990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).