5-chloro-3-ethyl-6-oxo-1H-pyridine-2-carboxylic acid

C8H8ClNO3 — CID 84721382

IUPAC5-chloro-3-ethyl-6-oxo-1H-pyridine-2-carboxylic acid
SMILESCCc1cc(Cl)c(=O)[nH]c1C(=O)O
InChIInChI=1S/C8H8ClNO3/c1-2-4-3-5(9)7(11)10-6(4)8(12)13/h3H,2H2,1H3,(H,10,11)(H,12,13)
InChIKeyIQZKFWIUYUEQFQ-UHFFFAOYSA-N
MW201.61 g/mol
LogP1.29
Rot. Bonds2

About 5-chloro-3-ethyl-6-oxo-1H-pyridine-2-carboxylic acid

5-chloro-3-ethyl-6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 84721382) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is 5-chloro-3-ethyl-6-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-ethyl-6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID84721382
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name5-chloro-3-ethyl-6-oxo-1H-pyridine-2-carboxylic acid
SMILESCCc1cc(Cl)c(=O)[nH]c1C(=O)O
InChIInChI=1S/C8H8ClNO3/c1-2-4-3-5(9)7(11)10-6(4)8(12)13/h3H,2H2,1H3,(H,10,11)(H,12,13)
InChIKeyIQZKFWIUYUEQFQ-UHFFFAOYSA-N
XLogP1.29
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 5-chloro-3-ethyl-6-oxo-1H-pyridine-2-carboxylic acid (CID 84721382) is 5-chloro-3-ethyl-6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-3-ethyl-6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 5-chloro-3-ethyl-6-oxo-1H-pyridine-2-carboxylic acid is CCc1cc(Cl)c(=O)[nH]c1C(=O)O.
What is the InChIKey of 5-chloro-3-ethyl-6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is IQZKFWIUYUEQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c1-2-4-3-5(9)7(11)10-6(4)8(12)13/h3H,2H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 5-chloro-3-ethyl-6-oxo-1H-pyridine-2-carboxylic acid?
5-chloro-3-ethyl-6-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 201.61 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-6-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 84721382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).