4-acetyl-6-cyclopropylpyridine-2-carboxylic acid

C11H11NO3 — CID 164869467

IUPAC4-acetyl-6-cyclopropylpyridine-2-carboxylic acid
SMILESCC(=O)c1cc(C(=O)O)nc(C2CC2)c1
InChIInChI=1S/C11H11NO3/c1-6(13)8-4-9(7-2-3-7)12-10(5-8)11(14)15/h4-5,7H,2-3H2,1H3,(H,14,15)
InChIKeySQYYFQKUAGKCGQ-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.86
Rot. Bonds3

About 4-acetyl-6-cyclopropylpyridine-2-carboxylic acid

4-acetyl-6-cyclopropylpyridine-2-carboxylic acid (PubChem CID 164869467) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 4-acetyl-6-cyclopropylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-acetyl-6-cyclopropylpyridine-2-carboxylic acid
PubChem CID164869467
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name4-acetyl-6-cyclopropylpyridine-2-carboxylic acid
SMILESCC(=O)c1cc(C(=O)O)nc(C2CC2)c1
InChIInChI=1S/C11H11NO3/c1-6(13)8-4-9(7-2-3-7)12-10(5-8)11(14)15/h4-5,7H,2-3H2,1H3,(H,14,15)
InChIKeySQYYFQKUAGKCGQ-UHFFFAOYSA-N
XLogP1.86
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-6-cyclopropylpyridine-2-carboxylic acid?
The IUPAC name of 4-acetyl-6-cyclopropylpyridine-2-carboxylic acid (CID 164869467) is 4-acetyl-6-cyclopropylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-acetyl-6-cyclopropylpyridine-2-carboxylic acid?
The canonical SMILES for 4-acetyl-6-cyclopropylpyridine-2-carboxylic acid is CC(=O)c1cc(C(=O)O)nc(C2CC2)c1.
What is the InChIKey of 4-acetyl-6-cyclopropylpyridine-2-carboxylic acid?
The InChIKey is SQYYFQKUAGKCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-6(13)8-4-9(7-2-3-7)12-10(5-8)11(14)15/h4-5,7H,2-3H2,1H3,(H,14,15).
What are the key properties of 4-acetyl-6-cyclopropylpyridine-2-carboxylic acid?
4-acetyl-6-cyclopropylpyridine-2-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-6-cyclopropylpyridine-2-carboxylic acid is sourced from PubChem (CID 164869467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).