5-chloro-4-ethylpyridine-2-carboxylic acid

C8H8ClNO2 — CID 82405973

IUPAC5-chloro-4-ethylpyridine-2-carboxylic acid
SMILESCCc1cc(C(=O)O)ncc1Cl
InChIInChI=1S/C8H8ClNO2/c1-2-5-3-7(8(11)12)10-4-6(5)9/h3-4H,2H2,1H3,(H,11,12)
InChIKeyJHFCETOZGWLARW-UHFFFAOYSA-N
MW185.61 g/mol
LogP2.00
Rot. Bonds2

About 5-chloro-4-ethylpyridine-2-carboxylic acid

5-chloro-4-ethylpyridine-2-carboxylic acid (PubChem CID 82405973) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is 5-chloro-4-ethylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-4-ethylpyridine-2-carboxylic acid
PubChem CID82405973
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name5-chloro-4-ethylpyridine-2-carboxylic acid
SMILESCCc1cc(C(=O)O)ncc1Cl
InChIInChI=1S/C8H8ClNO2/c1-2-5-3-7(8(11)12)10-4-6(5)9/h3-4H,2H2,1H3,(H,11,12)
InChIKeyJHFCETOZGWLARW-UHFFFAOYSA-N
XLogP2.00
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-4-pyrrolidin-1-ylpyridine-2-carboxylic acid
CID 84690742
4-chloro-3-ethylbenzoic acid
CID 21412279
2-chlorothieno[3,2-c]pyridine-6-carboxylic acid
CID 84679920
1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanone
CID 83119327
2-(4-chloro-3-ethylphenoxy)pyrimidine-5-carboxylic acid
CID 113387803
ethyl 5-chloro-4-methylpyridine-2-carboxylate
CID 13481444
4,6-diethylpyridine-2,5-dicarboxylic acid
CID 67650686
ethyl 4,5-diethylpyridine-2-carboxylate
CID 144863109
5-chloro-2-(2-ethoxyethoxy)pyridine-4-carboxylic acid
CID 114916819
2-butan-2-ylsulfanyl-5-chloropyridine-4-carboxylic acid
CID 114920088
5-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 177188064
5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid
CID 106329975

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethylpyridine-2-carboxylic acid?
The IUPAC name of 5-chloro-4-ethylpyridine-2-carboxylic acid (CID 82405973) is 5-chloro-4-ethylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-4-ethylpyridine-2-carboxylic acid?
The canonical SMILES for 5-chloro-4-ethylpyridine-2-carboxylic acid is CCc1cc(C(=O)O)ncc1Cl.
What is the InChIKey of 5-chloro-4-ethylpyridine-2-carboxylic acid?
The InChIKey is JHFCETOZGWLARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c1-2-5-3-7(8(11)12)10-4-6(5)9/h3-4H,2H2,1H3,(H,11,12).
What are the key properties of 5-chloro-4-ethylpyridine-2-carboxylic acid?
5-chloro-4-ethylpyridine-2-carboxylic acid has a molecular weight of 185.61 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethylpyridine-2-carboxylic acid is sourced from PubChem (CID 82405973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).