2-chloro-6-ethylpyridine-4-carboxylic acid

C8H8ClNO2 — CID 43840581

IUPAC2-chloro-6-ethylpyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C8H8ClNO2/c1-2-6-3-5(8(11)12)4-7(9)10-6/h3-4H,2H2,1H3,(H,11,12)
InChIKeySKKSZJCZAOYCDY-UHFFFAOYSA-N
MW185.61 g/mol
LogP2.00
Rot. Bonds2

About 2-chloro-6-ethylpyridine-4-carboxylic acid

2-chloro-6-ethylpyridine-4-carboxylic acid (PubChem CID 43840581) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is 2-chloro-6-ethylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-ethylpyridine-4-carboxylic acid
PubChem CID43840581
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name2-chloro-6-ethylpyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C8H8ClNO2/c1-2-6-3-5(8(11)12)4-7(9)10-6/h3-4H,2H2,1H3,(H,11,12)
InChIKeySKKSZJCZAOYCDY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethylpyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-ethylpyridine-4-carboxylic acid (CID 43840581) is 2-chloro-6-ethylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-ethylpyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-ethylpyridine-4-carboxylic acid is CCc1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-ethylpyridine-4-carboxylic acid?
The InChIKey is SKKSZJCZAOYCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c1-2-6-3-5(8(11)12)4-7(9)10-6/h3-4H,2H2,1H3,(H,11,12).
What are the key properties of 2-chloro-6-ethylpyridine-4-carboxylic acid?
2-chloro-6-ethylpyridine-4-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 2-chloro-6-ethylpyridine-4-carboxylic acid is sourced from PubChem (CID 43840581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).