5-chloro-1,3-dimethyl-6-oxopyridine-2-carboxylic acid

C8H8ClNO3 — CID 84721383

IUPAC5-chloro-1,3-dimethyl-6-oxopyridine-2-carboxylic acid
SMILESCc1cc(Cl)c(=O)n(C)c1C(=O)O
InChIInChI=1S/C8H8ClNO3/c1-4-3-5(9)7(11)10(2)6(4)8(12)13/h3H,1-2H3,(H,12,13)
InChIKeyYQZOENTXKZMKNX-UHFFFAOYSA-N
MW201.61 g/mol
LogP1.05
Rot. Bonds1

About 5-chloro-1,3-dimethyl-6-oxopyridine-2-carboxylic acid

5-chloro-1,3-dimethyl-6-oxopyridine-2-carboxylic acid (PubChem CID 84721383) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-6-oxopyridine-2-carboxylic acid
PubChem CID84721383
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name5-chloro-1,3-dimethyl-6-oxopyridine-2-carboxylic acid
SMILESCc1cc(Cl)c(=O)n(C)c1C(=O)O
InChIInChI=1S/C8H8ClNO3/c1-4-3-5(9)7(11)10(2)6(4)8(12)13/h3H,1-2H3,(H,12,13)
InChIKeyYQZOENTXKZMKNX-UHFFFAOYSA-N
XLogP1.05
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 84729312
1,4-Dimethyl-6-oxopyridine-2-carboxylic acid
CID 53665467
1-Ethyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid
CID 146424734
5-chloro-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid
CID 84071172
1,3-Dimethyl-6-oxopyridine-2-carboxylic acid
CID 84717178
3-Ethyl-1-methyl-6-oxopyridine-2-carboxylic acid
CID 84718448
5-Chloro-1-methyl-6-oxopyridine-2-carboxylic acid
CID 84719099
1-Methyl-6-oxo-3-propylpyridine-2-carboxylic acid
CID 84720420
1-Methyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid
CID 84720421
5-chloro-3-ethyl-6-oxo-1H-pyridine-2-carboxylic acid
CID 84721382
3-Tert-butyl-1-methyl-6-oxopyridine-2-carboxylic acid
CID 84722820
5-chloro-6-oxo-3-propyl-1H-pyridine-2-carboxylic acid
CID 84723803

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 5-chloro-1,3-dimethyl-6-oxopyridine-2-carboxylic acid (CID 84721383) is 5-chloro-1,3-dimethyl-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-1,3-dimethyl-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 5-chloro-1,3-dimethyl-6-oxopyridine-2-carboxylic acid is Cc1cc(Cl)c(=O)n(C)c1C(=O)O.
What is the InChIKey of 5-chloro-1,3-dimethyl-6-oxopyridine-2-carboxylic acid?
The InChIKey is YQZOENTXKZMKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c1-4-3-5(9)7(11)10(2)6(4)8(12)13/h3H,1-2H3,(H,12,13).
What are the key properties of 5-chloro-1,3-dimethyl-6-oxopyridine-2-carboxylic acid?
5-chloro-1,3-dimethyl-6-oxopyridine-2-carboxylic acid has a molecular weight of 201.61 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 84721383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).