8-fluoro-2-methoxycarbonylimidazo[1,5-a]pyrimidine-4-carboxylic acid

C9H6FN3O4 — CID 91517574

IUPAC8-fluoro-2-methoxycarbonylimidazo[1,5-a]pyrimidine-4-carboxylic acid
SMILESCOC(=O)c1cc(C(=O)O)n2cnc(F)c2n1
InChIInChI=1S/C9H6FN3O4/c1-17-9(16)4-2-5(8(14)15)13-3-11-6(10)7(13)12-4/h2-3H,1H3,(H,14,15)
InChIKeyNYMACWVIJJVINC-UHFFFAOYSA-N
MW239.16 g/mol
LogP0.35
Rot. Bonds2

About 8-fluoro-2-methoxycarbonylimidazo[1,5-a]pyrimidine-4-carboxylic acid

8-fluoro-2-methoxycarbonylimidazo[1,5-a]pyrimidine-4-carboxylic acid (PubChem CID 91517574) has the molecular formula C9H6FN3O4 and a molecular weight of 239.16 g/mol. Its IUPAC name is 8-fluoro-2-methoxycarbonylimidazo[1,5-a]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-2-methoxycarbonylimidazo[1,5-a]pyrimidine-4-carboxylic acid
PubChem CID91517574
Molecular FormulaC9H6FN3O4
Molecular Weight239.16 g/mol
Exact Mass239.03
IUPAC Name8-fluoro-2-methoxycarbonylimidazo[1,5-a]pyrimidine-4-carboxylic acid
SMILESCOC(=O)c1cc(C(=O)O)n2cnc(F)c2n1
InChIInChI=1S/C9H6FN3O4/c1-17-9(16)4-2-5(8(14)15)13-3-11-6(10)7(13)12-4/h2-3H,1H3,(H,14,15)
InChIKeyNYMACWVIJJVINC-UHFFFAOYSA-N
XLogP0.35
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-carbamoyl-4-methoxycarbonylimidazo[1,5-a]pyrimidine-2-carboxylic acid;methyl 4-[(1S)-1-aminoethyl]benzoate
CID 159593605
dimethyl 1-(4-fluorophenyl)pyrazole-3,5-dicarboxylate
CID 11140407
methyl 3-amino-5-(1-hydroxyethenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 70317954
7-methoxycarbonyl-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 143346586
2-amino-7-methoxycarbonyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 59461318
5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 59461413
8-carbamoyl-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,5-a]pyrimidine-4-carboxylic acid;methane;methyl 4-[(1S)-1-aminoethyl]benzoate
CID 158600111
3-acetyloxy-5-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;(4-fluoro-3-methylphenyl)methanamine
CID 157375009
4-ethoxy-6-methoxycarbonylpyridine-2-carboxylic acid
CID 23292064
5-methoxycarbonyl-1-propan-2-ylpyrazole-3-carboxylic acid
CID 117218592
7-methoxycarbonyl-2-(methylidenecarbamoyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 143344585
methyl 4-bromo-6-fluoropyridine-2-carboxylate
CID 122715501

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methoxycarbonylimidazo[1,5-a]pyrimidine-4-carboxylic acid?
The IUPAC name of 8-fluoro-2-methoxycarbonylimidazo[1,5-a]pyrimidine-4-carboxylic acid (CID 91517574) is 8-fluoro-2-methoxycarbonylimidazo[1,5-a]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 8-fluoro-2-methoxycarbonylimidazo[1,5-a]pyrimidine-4-carboxylic acid?
The canonical SMILES for 8-fluoro-2-methoxycarbonylimidazo[1,5-a]pyrimidine-4-carboxylic acid is COC(=O)c1cc(C(=O)O)n2cnc(F)c2n1.
What is the InChIKey of 8-fluoro-2-methoxycarbonylimidazo[1,5-a]pyrimidine-4-carboxylic acid?
The InChIKey is NYMACWVIJJVINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O4/c1-17-9(16)4-2-5(8(14)15)13-3-11-6(10)7(13)12-4/h2-3H,1H3,(H,14,15).
What are the key properties of 8-fluoro-2-methoxycarbonylimidazo[1,5-a]pyrimidine-4-carboxylic acid?
8-fluoro-2-methoxycarbonylimidazo[1,5-a]pyrimidine-4-carboxylic acid has a molecular weight of 239.16 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methoxycarbonylimidazo[1,5-a]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 91517574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).