2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid

C12H15NO5 — CID 44558094

IUPAC2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c(C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C12H15NO5/c1-12(2,3)18-11(16)8-6-13-9(17-4)5-7(8)10(14)15/h5-6H,1-4H3,(H,14,15)
InChIKeyCBPHGMVDGRXTDC-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.74
Rot. Bonds3

About 2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid

2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid (PubChem CID 44558094) 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-4-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid
PubChem CID44558094
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c(C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C12H15NO5/c1-12(2,3)18-11(16)8-6-13-9(17-4)5-7(8)10(14)15/h5-6H,1-4H3,(H,14,15)
InChIKeyCBPHGMVDGRXTDC-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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Related Compounds

2-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid
CID 52987939
4,6-dimethoxypyridine-3-carboxylic acid
CID 69266328
2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 105476930
4,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
CID 69126225
2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
CID 170171990
4,5-dibromo-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid;ethane
CID 69126153
4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid
CID 130097491
5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
CID 53423671
2-methoxy-5-(triazol-2-yl)pyridine-4-carboxylic acid
CID 171797979
2-methoxy-5-nitropyridine-4-carboxylic acid
CID 105451249
4-amino-3-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-2-carboxylic acid
CID 175130774
ethane;5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
CID 69124474

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid (CID 44558094) is 2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid is COc1cc(C(=O)O)c(C(=O)OC(C)(C)C)cn1.
What is the InChIKey of 2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid?
The InChIKey is CBPHGMVDGRXTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-12(2,3)18-11(16)8-6-13-9(17-4)5-7(8)10(14)15/h5-6H,1-4H3,(H,14,15).
What are the key properties of 2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid?
2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-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-4-carboxylic acid is sourced from PubChem (CID 44558094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).