2-(6-cyano-3-methyl-2-pyridinyl)acetic acid

C9H8N2O2 — CID 118173883

IUPAC2-(6-cyano-3-methyl-2-pyridinyl)acetic acid
SMILESCc1ccc(C#N)nc1CC(=O)O
InChIInChI=1S/C9H8N2O2/c1-6-2-3-7(5-10)11-8(6)4-9(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKeyHLVHMUWKCXDWQW-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.89
Rot. Bonds2

About 2-(6-cyano-3-methyl-2-pyridinyl)acetic acid

2-(6-cyano-3-methyl-2-pyridinyl)acetic acid (PubChem CID 118173883) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-(6-cyano-3-methyl-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(6-cyano-3-methyl-2-pyridinyl)acetic acid
PubChem CID118173883
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name2-(6-cyano-3-methyl-2-pyridinyl)acetic acid
SMILESCc1ccc(C#N)nc1CC(=O)O
InChIInChI=1S/C9H8N2O2/c1-6-2-3-7(5-10)11-8(6)4-9(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKeyHLVHMUWKCXDWQW-UHFFFAOYSA-N
XLogP0.89
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-cyano-3-methyl-2-pyridinyl)acetic acid?
The IUPAC name of 2-(6-cyano-3-methyl-2-pyridinyl)acetic acid (CID 118173883) is 2-(6-cyano-3-methyl-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(6-cyano-3-methyl-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(6-cyano-3-methyl-2-pyridinyl)acetic acid is Cc1ccc(C#N)nc1CC(=O)O.
What is the InChIKey of 2-(6-cyano-3-methyl-2-pyridinyl)acetic acid?
The InChIKey is HLVHMUWKCXDWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-6-2-3-7(5-10)11-8(6)4-9(12)13/h2-3H,4H2,1H3,(H,12,13).
What are the key properties of 2-(6-cyano-3-methyl-2-pyridinyl)acetic acid?
2-(6-cyano-3-methyl-2-pyridinyl)acetic acid has a molecular weight of 176.17 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyano-3-methyl-2-pyridinyl)acetic acid is sourced from PubChem (CID 118173883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).