5-ethenyl-4-oxo-1H-pyridine-2-carboxylic acid

C8H7NO3 — CID 74892714

IUPAC5-ethenyl-4-oxo-1H-pyridine-2-carboxylic acid
SMILESC=Cc1c[nH]c(C(=O)O)cc1=O
InChIInChI=1S/C8H7NO3/c1-2-5-4-9-6(8(11)12)3-7(5)10/h2-4H,1H2,(H,9,10)(H,11,12)
InChIKeyTZQIQVXYXQIHBM-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.72
Rot. Bonds2

About 5-ethenyl-4-oxo-1H-pyridine-2-carboxylic acid

5-ethenyl-4-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 74892714) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 5-ethenyl-4-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-ethenyl-4-oxo-1H-pyridine-2-carboxylic acid
PubChem CID74892714
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name5-ethenyl-4-oxo-1H-pyridine-2-carboxylic acid
SMILESC=Cc1c[nH]c(C(=O)O)cc1=O
InChIInChI=1S/C8H7NO3/c1-2-5-4-9-6(8(11)12)3-7(5)10/h2-4H,1H2,(H,9,10)(H,11,12)
InChIKeyTZQIQVXYXQIHBM-UHFFFAOYSA-N
XLogP0.72
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-borono-4-oxo-1H-pyridine-2-carboxylic acid
CID 91882851
4-prop-2-enyl-1H-pyrrole-2-carboxylic acid
CID 67809027
4-ethenyl-5-methyl-1H-pyrrole-2-carboxylic acid
CID 143604934
4-arsanyl-1H-pyrrole-2-carboxylic acid
CID 173183216
4-chloro-1H-pyrrole-2-carboxylic acid
CID 7130842
CID 89332514
CID 89332514
4-benzoyl-1H-pyrrole-2-carboxylic acid
CID 2763446
4-methylsulfanyl-1H-pyrrole-2-carboxylic acid
CID 14684837
4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 67231761
4-ethyl-1H-pyrrole-2-carboxylic acid
CID 84648388
3-benzoyl-5-ethenyl-1H-pyrimidine-2,4-dione
CID 142659888
4-(3-cyanoprop-1-enyl)-1H-pyrrole-2-carboxylic acid
CID 170799423

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 5-ethenyl-4-oxo-1H-pyridine-2-carboxylic acid (CID 74892714) is 5-ethenyl-4-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 5-ethenyl-4-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 5-ethenyl-4-oxo-1H-pyridine-2-carboxylic acid is C=Cc1c[nH]c(C(=O)O)cc1=O.
What is the InChIKey of 5-ethenyl-4-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is TZQIQVXYXQIHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c1-2-5-4-9-6(8(11)12)3-7(5)10/h2-4H,1H2,(H,9,10)(H,11,12).
What are the key properties of 5-ethenyl-4-oxo-1H-pyridine-2-carboxylic acid?
5-ethenyl-4-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 165.15 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 74892714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).