2-ethyl-1H-pyridine-2-carboxylic acid

C8H11NO2 — CID 21119960

IUPAC2-ethyl-1H-pyridine-2-carboxylic acid
SMILESCCC1(C(=O)O)C=CC=CN1
InChIInChI=1S/C8H11NO2/c1-2-8(7(10)11)5-3-4-6-9-8/h3-6,9H,2H2,1H3,(H,10,11)
InChIKeyYJAXWTSRFXSFBZ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.89
Rot. Bonds2

About 2-ethyl-1H-pyridine-2-carboxylic acid

2-ethyl-1H-pyridine-2-carboxylic acid (PubChem CID 21119960) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-ethyl-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1H-pyridine-2-carboxylic acid
PubChem CID21119960
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-ethyl-1H-pyridine-2-carboxylic acid
SMILESCCC1(C(=O)O)C=CC=CN1
InChIInChI=1S/C8H11NO2/c1-2-8(7(10)11)5-3-4-6-9-8/h3-6,9H,2H2,1H3,(H,10,11)
InChIKeyYJAXWTSRFXSFBZ-UHFFFAOYSA-N
XLogP0.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1H-pyridine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1H-pyridine-2-carboxylic acid (CID 21119960) is 2-ethyl-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1H-pyridine-2-carboxylic acid is CCC1(C(=O)O)C=CC=CN1.
What is the InChIKey of 2-ethyl-1H-pyridine-2-carboxylic acid?
The InChIKey is YJAXWTSRFXSFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-8(7(10)11)5-3-4-6-9-8/h3-6,9H,2H2,1H3,(H,10,11).
What are the key properties of 2-ethyl-1H-pyridine-2-carboxylic acid?
2-ethyl-1H-pyridine-2-carboxylic acid has a molecular weight of 153.18 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 21119960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).