4-ethylpyridine-2-carboxylic acid

C8H9NO2 — CID 3596580

IUPAC4-ethylpyridine-2-carboxylic acid
SMILESCCc1ccnc(C(=O)O)c1
InChIInChI=1S/C8H9NO2/c1-2-6-3-4-9-7(5-6)8(10)11/h3-5H,2H2,1H3,(H,10,11)
InChIKeyUQLMTCZJAWIPLK-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.34
Rot. Bonds2

About 4-ethylpyridine-2-carboxylic acid

4-ethylpyridine-2-carboxylic acid (PubChem CID 3596580) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 4-ethylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethylpyridine-2-carboxylic acid
PubChem CID3596580
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name4-ethylpyridine-2-carboxylic acid
SMILESCCc1ccnc(C(=O)O)c1
InChIInChI=1S/C8H9NO2/c1-2-6-3-4-9-7(5-6)8(10)11/h3-5H,2H2,1H3,(H,10,11)
InChIKeyUQLMTCZJAWIPLK-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethylpyridine-2-carboxylic acid?
The IUPAC name of 4-ethylpyridine-2-carboxylic acid (CID 3596580) is 4-ethylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-ethylpyridine-2-carboxylic acid?
The canonical SMILES for 4-ethylpyridine-2-carboxylic acid is CCc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-ethylpyridine-2-carboxylic acid?
The InChIKey is UQLMTCZJAWIPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-2-6-3-4-9-7(5-6)8(10)11/h3-5H,2H2,1H3,(H,10,11).
What are the key properties of 4-ethylpyridine-2-carboxylic acid?
4-ethylpyridine-2-carboxylic acid has a molecular weight of 151.16 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylpyridine-2-carboxylic acid is sourced from PubChem (CID 3596580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).