2-(2-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid

C14H10FN3O2 — CID 131987836

IUPAC2-(2-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid
SMILESCc1cc(-c2ccccc2F)nc2c(C(=O)O)ncn12
InChIInChI=1S/C14H10FN3O2/c1-8-6-11(9-4-2-3-5-10(9)15)17-13-12(14(19)20)16-7-18(8)13/h2-7H,1H3,(H,19,20)
InChIKeyPGANYTGRJYAJLA-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.54
Rot. Bonds2

About 2-(2-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid

2-(2-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid (PubChem CID 131987836) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid
PubChem CID131987836
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name2-(2-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid
SMILESCc1cc(-c2ccccc2F)nc2c(C(=O)O)ncn12
InChIInChI=1S/C14H10FN3O2/c1-8-6-11(9-4-2-3-5-10(9)15)17-13-12(14(19)20)16-7-18(8)13/h2-7H,1H3,(H,19,20)
InChIKeyPGANYTGRJYAJLA-UHFFFAOYSA-N
XLogP2.54
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid?
The IUPAC name of 2-(2-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid (CID 131987836) is 2-(2-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid?
The canonical SMILES for 2-(2-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid is Cc1cc(-c2ccccc2F)nc2c(C(=O)O)ncn12.
What is the InChIKey of 2-(2-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid?
The InChIKey is PGANYTGRJYAJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c1-8-6-11(9-4-2-3-5-10(9)15)17-13-12(14(19)20)16-7-18(8)13/h2-7H,1H3,(H,19,20).
What are the key properties of 2-(2-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid?
2-(2-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid has a molecular weight of 271.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid is sourced from PubChem (CID 131987836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).