6-propan-2-yloxycarbonylpyridine-2-carboxylic acid

C10H11NO4 — CID 3241921

IUPAC6-propan-2-yloxycarbonylpyridine-2-carboxylic acid
SMILESCC(C)OC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C10H11NO4/c1-6(2)15-10(14)8-5-3-4-7(11-8)9(12)13/h3-6H,1-2H3,(H,12,13)
InChIKeyPZOBSGFZRSJVAO-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.35
Rot. Bonds3

About 6-propan-2-yloxycarbonylpyridine-2-carboxylic acid

6-propan-2-yloxycarbonylpyridine-2-carboxylic acid (PubChem CID 3241921) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 6-propan-2-yloxycarbonylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-propan-2-yloxycarbonylpyridine-2-carboxylic acid
PubChem CID3241921
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name6-propan-2-yloxycarbonylpyridine-2-carboxylic acid
SMILESCC(C)OC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C10H11NO4/c1-6(2)15-10(14)8-5-3-4-7(11-8)9(12)13/h3-6H,1-2H3,(H,12,13)
InChIKeyPZOBSGFZRSJVAO-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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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxycarbonylpyridine-2-carboxylic acid?
The IUPAC name of 6-propan-2-yloxycarbonylpyridine-2-carboxylic acid (CID 3241921) is 6-propan-2-yloxycarbonylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-propan-2-yloxycarbonylpyridine-2-carboxylic acid?
The canonical SMILES for 6-propan-2-yloxycarbonylpyridine-2-carboxylic acid is CC(C)OC(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-propan-2-yloxycarbonylpyridine-2-carboxylic acid?
The InChIKey is PZOBSGFZRSJVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-6(2)15-10(14)8-5-3-4-7(11-8)9(12)13/h3-6H,1-2H3,(H,12,13).
What are the key properties of 6-propan-2-yloxycarbonylpyridine-2-carboxylic acid?
6-propan-2-yloxycarbonylpyridine-2-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 6-propan-2-yloxycarbonylpyridine-2-carboxylic acid is sourced from PubChem (CID 3241921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).