3-methyl-2-(6-oxo-1H-pyridin-3-yl)pyridine-4-carboxylic acid

C12H10N2O3 — CID 154360310

IUPAC3-methyl-2-(6-oxo-1H-pyridin-3-yl)pyridine-4-carboxylic acid
SMILESCc1c(C(=O)O)ccnc1-c1ccc(=O)[nH]c1
InChIInChI=1S/C12H10N2O3/c1-7-9(12(16)17)4-5-13-11(7)8-2-3-10(15)14-6-8/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyRSRJJRWRDVNNJU-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.44
Rot. Bonds2

About 3-methyl-2-(6-oxo-1H-pyridin-3-yl)pyridine-4-carboxylic acid

3-methyl-2-(6-oxo-1H-pyridin-3-yl)pyridine-4-carboxylic acid (PubChem CID 154360310) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-methyl-2-(6-oxo-1H-pyridin-3-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-(6-oxo-1H-pyridin-3-yl)pyridine-4-carboxylic acid
PubChem CID154360310
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name3-methyl-2-(6-oxo-1H-pyridin-3-yl)pyridine-4-carboxylic acid
SMILESCc1c(C(=O)O)ccnc1-c1ccc(=O)[nH]c1
InChIInChI=1S/C12H10N2O3/c1-7-9(12(16)17)4-5-13-11(7)8-2-3-10(15)14-6-8/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyRSRJJRWRDVNNJU-UHFFFAOYSA-N
XLogP1.44
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-phenylpyridine-4-carboxylic acid
CID 83916989
2-(2,3-dichlorophenyl)-3-methylpyridine-4-carboxylic acid
CID 170837701
3-methyl-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 90460143
3-methyl-2-(3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid
CID 90205280
6-oxo-5H-1,5-naphthyridine-4-carboxylic acid
CID 146599640
ethane;5-pyridin-2-yl-1H-pyridin-2-one
CID 144524289
4-[(6-oxo-1H-pyridin-3-yl)oxy]pyridine-3-carboxylic acid
CID 91536532
2,3-dimethylterephthalic acid
CID 158313107
6-oxo-1H-pyridine-3-carboxylic acid
CID 161433889
5-phenyl-1H-pyridin-2-one
CID 10057963
1-(4-benzoyl-2-methylidenepiperazin-1-yl)-2-[7-(6-oxo-1H-pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 142160234
7-methyl-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 160512752

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(6-oxo-1H-pyridin-3-yl)pyridine-4-carboxylic acid?
The IUPAC name of 3-methyl-2-(6-oxo-1H-pyridin-3-yl)pyridine-4-carboxylic acid (CID 154360310) is 3-methyl-2-(6-oxo-1H-pyridin-3-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-methyl-2-(6-oxo-1H-pyridin-3-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-methyl-2-(6-oxo-1H-pyridin-3-yl)pyridine-4-carboxylic acid is Cc1c(C(=O)O)ccnc1-c1ccc(=O)[nH]c1.
What is the InChIKey of 3-methyl-2-(6-oxo-1H-pyridin-3-yl)pyridine-4-carboxylic acid?
The InChIKey is RSRJJRWRDVNNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-7-9(12(16)17)4-5-13-11(7)8-2-3-10(15)14-6-8/h2-6H,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-methyl-2-(6-oxo-1H-pyridin-3-yl)pyridine-4-carboxylic acid?
3-methyl-2-(6-oxo-1H-pyridin-3-yl)pyridine-4-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(6-oxo-1H-pyridin-3-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 154360310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).