2-(6-methylpyridine-2-carbonyl)oxypropanoic acid

C10H11NO4 — CID 100987027

IUPAC2-(6-methylpyridine-2-carbonyl)oxypropanoic acid
SMILESCc1cccc(C(=O)OC(C)C(=O)O)n1
InChIInChI=1S/C10H11NO4/c1-6-4-3-5-8(11-6)10(14)15-7(2)9(12)13/h3-5,7H,1-2H3,(H,12,13)
InChIKeyXAQRQPLEMQBICN-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.02
Rot. Bonds3

About 2-(6-methylpyridine-2-carbonyl)oxypropanoic acid

2-(6-methylpyridine-2-carbonyl)oxypropanoic acid (PubChem CID 100987027) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-(6-methylpyridine-2-carbonyl)oxypropanoic acid.

Molecular Properties

Compound Name2-(6-methylpyridine-2-carbonyl)oxypropanoic acid
PubChem CID100987027
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-(6-methylpyridine-2-carbonyl)oxypropanoic acid
SMILESCc1cccc(C(=O)OC(C)C(=O)O)n1
InChIInChI=1S/C10H11NO4/c1-6-4-3-5-8(11-6)10(14)15-7(2)9(12)13/h3-5,7H,1-2H3,(H,12,13)
InChIKeyXAQRQPLEMQBICN-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylpyridine-2-carbonyl)oxypropanoic acid?
The IUPAC name of 2-(6-methylpyridine-2-carbonyl)oxypropanoic acid (CID 100987027) is 2-(6-methylpyridine-2-carbonyl)oxypropanoic acid.
What is the SMILES notation for 2-(6-methylpyridine-2-carbonyl)oxypropanoic acid?
The canonical SMILES for 2-(6-methylpyridine-2-carbonyl)oxypropanoic acid is Cc1cccc(C(=O)OC(C)C(=O)O)n1.
What is the InChIKey of 2-(6-methylpyridine-2-carbonyl)oxypropanoic acid?
The InChIKey is XAQRQPLEMQBICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-6-4-3-5-8(11-6)10(14)15-7(2)9(12)13/h3-5,7H,1-2H3,(H,12,13).
What are the key properties of 2-(6-methylpyridine-2-carbonyl)oxypropanoic acid?
2-(6-methylpyridine-2-carbonyl)oxypropanoic acid has a molecular weight of 209.20 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylpyridine-2-carbonyl)oxypropanoic acid is sourced from PubChem (CID 100987027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).