2-(6-methoxycarbonyl-3-pyridinyl)acetic acid

C9H9NO4 — CID 10797909

IUPAC2-(6-methoxycarbonyl-3-pyridinyl)acetic acid
SMILESCOC(=O)c1ccc(CC(=O)O)cn1
InChIInChI=1S/C9H9NO4/c1-14-9(13)7-3-2-6(5-10-7)4-8(11)12/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyXWJOLQAIRZCNNT-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.50
Rot. Bonds3

About 2-(6-methoxycarbonyl-3-pyridinyl)acetic acid

2-(6-methoxycarbonyl-3-pyridinyl)acetic acid (PubChem CID 10797909) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 2-(6-methoxycarbonyl-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(6-methoxycarbonyl-3-pyridinyl)acetic acid
PubChem CID10797909
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name2-(6-methoxycarbonyl-3-pyridinyl)acetic acid
SMILESCOC(=O)c1ccc(CC(=O)O)cn1
InChIInChI=1S/C9H9NO4/c1-14-9(13)7-3-2-6(5-10-7)4-8(11)12/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyXWJOLQAIRZCNNT-UHFFFAOYSA-N
XLogP0.50
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxycarbonyl-3-pyridinyl)acetic acid?
The IUPAC name of 2-(6-methoxycarbonyl-3-pyridinyl)acetic acid (CID 10797909) is 2-(6-methoxycarbonyl-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(6-methoxycarbonyl-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(6-methoxycarbonyl-3-pyridinyl)acetic acid is COC(=O)c1ccc(CC(=O)O)cn1.
What is the InChIKey of 2-(6-methoxycarbonyl-3-pyridinyl)acetic acid?
The InChIKey is XWJOLQAIRZCNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c1-14-9(13)7-3-2-6(5-10-7)4-8(11)12/h2-3,5H,4H2,1H3,(H,11,12).
What are the key properties of 2-(6-methoxycarbonyl-3-pyridinyl)acetic acid?
2-(6-methoxycarbonyl-3-pyridinyl)acetic acid has a molecular weight of 195.17 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxycarbonyl-3-pyridinyl)acetic acid is sourced from PubChem (CID 10797909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).