2-(1-ethyl-2H-pyridin-2-yl)acetic acid

C9H13NO2 — CID 158436884

IUPAC2-(1-ethyl-2H-pyridin-2-yl)acetic acid
SMILESCCN1C=CC=CC1CC(=O)O
InChIInChI=1S/C9H13NO2/c1-2-10-6-4-3-5-8(10)7-9(11)12/h3-6,8H,2,7H2,1H3,(H,11,12)
InChIKeyHCIKPLBWORTBIS-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.24
Rot. Bonds3

About 2-(1-ethyl-2H-pyridin-2-yl)acetic acid

2-(1-ethyl-2H-pyridin-2-yl)acetic acid (PubChem CID 158436884) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(1-ethyl-2H-pyridin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-ethyl-2H-pyridin-2-yl)acetic acid
PubChem CID158436884
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-(1-ethyl-2H-pyridin-2-yl)acetic acid
SMILESCCN1C=CC=CC1CC(=O)O
InChIInChI=1S/C9H13NO2/c1-2-10-6-4-3-5-8(10)7-9(11)12/h3-6,8H,2,7H2,1H3,(H,11,12)
InChIKeyHCIKPLBWORTBIS-UHFFFAOYSA-N
XLogP1.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-2H-pyridin-2-yl)acetic acid?
The IUPAC name of 2-(1-ethyl-2H-pyridin-2-yl)acetic acid (CID 158436884) is 2-(1-ethyl-2H-pyridin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-ethyl-2H-pyridin-2-yl)acetic acid?
The canonical SMILES for 2-(1-ethyl-2H-pyridin-2-yl)acetic acid is CCN1C=CC=CC1CC(=O)O.
What is the InChIKey of 2-(1-ethyl-2H-pyridin-2-yl)acetic acid?
The InChIKey is HCIKPLBWORTBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-10-6-4-3-5-8(10)7-9(11)12/h3-6,8H,2,7H2,1H3,(H,11,12).
What are the key properties of 2-(1-ethyl-2H-pyridin-2-yl)acetic acid?
2-(1-ethyl-2H-pyridin-2-yl)acetic acid has a molecular weight of 167.21 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-2H-pyridin-2-yl)acetic acid is sourced from PubChem (CID 158436884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).