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

C8H9NO3 — CID 20775012

IUPAC5-ethyl-6-oxo-1H-pyridine-2-carboxylic acid
SMILESCCc1ccc(C(=O)O)[nH]c1=O
InChIInChI=1S/C8H9NO3/c1-2-5-3-4-6(8(11)12)9-7(5)10/h3-4H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyRLGRREDNGNLTOL-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.64
Rot. Bonds2

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

5-ethyl-6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 20775012) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 5-ethyl-6-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID20775012
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name5-ethyl-6-oxo-1H-pyridine-2-carboxylic acid
SMILESCCc1ccc(C(=O)O)[nH]c1=O
InChIInChI=1S/C8H9NO3/c1-2-5-3-4-6(8(11)12)9-7(5)10/h3-4H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyRLGRREDNGNLTOL-UHFFFAOYSA-N
XLogP0.64
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-Methyl-butyrylamino)-pent-2-enoic acid
CID 19878216
6-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 113444
2-Oxo-6-propyl-1,2-dihydropyridine-4-carboxylic acid
CID 12586777
2-Hydroxy-6-(propan-2-yl)pyridine-4-carboxylic acid
CID 71327507
6-Hydroxy-4-methylpyridine-2-carboxylic acid
CID 820395
2-Tert-butyl-6-hydroxypyridine-4-carboxylic acid
CID 71668584
6-Hydroxylutidinic acid
CID 11412755
4-(dipropylcarbamoyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 129054265
5-Butyl-6-oxo-1,6-dihydropyridine-2-carboxylic acid
CID 119091819
4-Methyl-6-carboxy-methylpyrid-2-one
CID 129782587
4-(Difluoromethyl)-6-hydroxy-5-methylpicolinic acid
CID 118823912
4-(Difluoromethyl)-6-hydroxy-5-(trifluoromethyl)picolinic acid
CID 118835017

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 5-ethyl-6-oxo-1H-pyridine-2-carboxylic acid (CID 20775012) is 5-ethyl-6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 5-ethyl-6-oxo-1H-pyridine-2-carboxylic acid is CCc1ccc(C(=O)O)[nH]c1=O.
What is the InChIKey of 5-ethyl-6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is RLGRREDNGNLTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-2-5-3-4-6(8(11)12)9-7(5)10/h3-4H,2H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 5-ethyl-6-oxo-1H-pyridine-2-carboxylic acid?
5-ethyl-6-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 167.16 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 20775012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).