2-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)pyridine-4-carboxylic acid

C12H7N3O3S — CID 137049153

IUPAC2-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2nc3ccsc3c(=O)[nH]2)c1
InChIInChI=1S/C12H7N3O3S/c16-11-9-7(2-4-19-9)14-10(15-11)8-5-6(12(17)18)1-3-13-8/h1-5H,(H,17,18)(H,14,15,16)
InChIKeyIVLLKUJKQSVGQR-UHFFFAOYSA-N
MW273.27 g/mol
LogP1.74
Rot. Bonds2

About 2-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)pyridine-4-carboxylic acid

2-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)pyridine-4-carboxylic acid (PubChem CID 137049153) has the molecular formula C12H7N3O3S and a molecular weight of 273.27 g/mol. Its IUPAC name is 2-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)pyridine-4-carboxylic acid
PubChem CID137049153
Molecular FormulaC12H7N3O3S
Molecular Weight273.27 g/mol
Exact Mass273.02
IUPAC Name2-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2nc3ccsc3c(=O)[nH]2)c1
InChIInChI=1S/C12H7N3O3S/c16-11-9-7(2-4-19-9)14-10(15-11)8-5-6(12(17)18)1-3-13-8/h1-5H,(H,17,18)(H,14,15,16)
InChIKeyIVLLKUJKQSVGQR-UHFFFAOYSA-N
XLogP1.74
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
6-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 135970660
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
6-hydroxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
CID 146333407
2-(3-chloro-4-fluorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136633214
2-(5-bromo-2-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-phenyl-2-piperazin-1-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 158043595
[4-[2-(1H-benzimidazol-2-yl)pyridine-4-carbonyl]piperazin-1-yl]-[2-(1H-benzimidazol-2-yl)-4-pyridinyl]methanone
CID 138672421
methyl 2-(4-oxo-3,7,8,9-tetrahydro-[1,4]dioxepino[2,3-g]quinazolin-2-yl)pyridine-4-carboxylate
CID 154852074
2-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]pyridine-4-carboxylic acid
CID 137296976
2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid
CID 87456745

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)pyridine-4-carboxylic acid (CID 137049153) is 2-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2nc3ccsc3c(=O)[nH]2)c1.
What is the InChIKey of 2-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)pyridine-4-carboxylic acid?
The InChIKey is IVLLKUJKQSVGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O3S/c16-11-9-7(2-4-19-9)14-10(15-11)8-5-6(12(17)18)1-3-13-8/h1-5H,(H,17,18)(H,14,15,16).
What are the key properties of 2-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)pyridine-4-carboxylic acid?
2-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)pyridine-4-carboxylic acid has a molecular weight of 273.27 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 137049153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).