2-propan-2-yloxycarbonylpyridine-3-carboxylic acid

C10H11NO4 — CID 20750066

IUPAC2-propan-2-yloxycarbonylpyridine-3-carboxylic acid
SMILESCC(C)OC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C10H11NO4/c1-6(2)15-10(14)8-7(9(12)13)4-3-5-11-8/h3-6H,1-2H3,(H,12,13)
InChIKeyISSPPDIMZKGLKN-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.35
Rot. Bonds3

About 2-propan-2-yloxycarbonylpyridine-3-carboxylic acid

2-propan-2-yloxycarbonylpyridine-3-carboxylic acid (PubChem CID 20750066) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-propan-2-yloxycarbonylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yloxycarbonylpyridine-3-carboxylic acid
PubChem CID20750066
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-propan-2-yloxycarbonylpyridine-3-carboxylic acid
SMILESCC(C)OC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C10H11NO4/c1-6(2)15-10(14)8-7(9(12)13)4-3-5-11-8/h3-6H,1-2H3,(H,12,13)
InChIKeyISSPPDIMZKGLKN-UHFFFAOYSA-N
XLogP1.35
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dipropan-2-yl pyridine-2,3-dicarboxylate
CID 14745930
2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427
pyridine-2,3-dicarboxylic acid
CID 1066
propan-2-yl 3-(chloromethyl)pyridine-2-carboxylate
CID 133062818
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 104759073
propan-2-yl 2-propan-2-yloxypyridine-3-carboxylate
CID 121229095
2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid
CID 55249525
2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614422
propan-2-yl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 55475285
propan-2-yl isoquinoline-1-carboxylate
CID 57319572

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxycarbonylpyridine-3-carboxylic acid?
The IUPAC name of 2-propan-2-yloxycarbonylpyridine-3-carboxylic acid (CID 20750066) is 2-propan-2-yloxycarbonylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-propan-2-yloxycarbonylpyridine-3-carboxylic acid?
The canonical SMILES for 2-propan-2-yloxycarbonylpyridine-3-carboxylic acid is CC(C)OC(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-propan-2-yloxycarbonylpyridine-3-carboxylic acid?
The InChIKey is ISSPPDIMZKGLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-6(2)15-10(14)8-7(9(12)13)4-3-5-11-8/h3-6H,1-2H3,(H,12,13).
What are the key properties of 2-propan-2-yloxycarbonylpyridine-3-carboxylic acid?
2-propan-2-yloxycarbonylpyridine-3-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxycarbonylpyridine-3-carboxylic acid is sourced from PubChem (CID 20750066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).