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

C8H9NO2 — CID 22507698

IUPAC2-(6-methyl-3-pyridinyl)acetic acid
SMILESCc1ccc(CC(=O)O)cn1
InChIInChI=1S/C8H9NO2/c1-6-2-3-7(5-9-6)4-8(10)11/h2-3,5H,4H2,1H3,(H,10,11)
InChIKeyDWTRPWLHNATUPX-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.02
Rot. Bonds2

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

2-(6-methyl-3-pyridinyl)acetic acid (PubChem CID 22507698) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)acetic acid
PubChem CID22507698
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name2-(6-methyl-3-pyridinyl)acetic acid
SMILESCc1ccc(CC(=O)O)cn1
InChIInChI=1S/C8H9NO2/c1-6-2-3-7(5-9-6)4-8(10)11/h2-3,5H,4H2,1H3,(H,10,11)
InChIKeyDWTRPWLHNATUPX-UHFFFAOYSA-N
XLogP1.02
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)acetic acid?
The IUPAC name of 2-(6-methyl-3-pyridinyl)acetic acid (CID 22507698) is 2-(6-methyl-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)acetic acid is Cc1ccc(CC(=O)O)cn1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)acetic acid?
The InChIKey is DWTRPWLHNATUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6-2-3-7(5-9-6)4-8(10)11/h2-3,5H,4H2,1H3,(H,10,11).
What are the key properties of 2-(6-methyl-3-pyridinyl)acetic acid?
2-(6-methyl-3-pyridinyl)acetic acid has a molecular weight of 151.16 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)acetic acid is sourced from PubChem (CID 22507698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).