6-chloroimidazo[1,5-a]pyrimidine-8-carboxylic acid

C7H4ClN3O2 — CID 83880230

IUPAC6-chloroimidazo[1,5-a]pyrimidine-8-carboxylic acid
SMILESO=C(O)c1nc(Cl)n2cccnc12
InChIInChI=1S/C7H4ClN3O2/c8-7-10-4(6(12)13)5-9-2-1-3-11(5)7/h1-3H,(H,12,13)
InChIKeyGFJPUKTTYZSTRF-UHFFFAOYSA-N
MW197.58 g/mol
LogP1.08
Rot. Bonds1

About 6-chloroimidazo[1,5-a]pyrimidine-8-carboxylic acid

6-chloroimidazo[1,5-a]pyrimidine-8-carboxylic acid (PubChem CID 83880230) has the molecular formula C7H4ClN3O2 and a molecular weight of 197.58 g/mol. Its IUPAC name is 6-chloroimidazo[1,5-a]pyrimidine-8-carboxylic acid.

Molecular Properties

Compound Name6-chloroimidazo[1,5-a]pyrimidine-8-carboxylic acid
PubChem CID83880230
Molecular FormulaC7H4ClN3O2
Molecular Weight197.58 g/mol
Exact Mass197.00
IUPAC Name6-chloroimidazo[1,5-a]pyrimidine-8-carboxylic acid
SMILESO=C(O)c1nc(Cl)n2cccnc12
InChIInChI=1S/C7H4ClN3O2/c8-7-10-4(6(12)13)5-9-2-1-3-11(5)7/h1-3H,(H,12,13)
InChIKeyGFJPUKTTYZSTRF-UHFFFAOYSA-N
XLogP1.08
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.58
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethylsulfonylimidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 156889877
3-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride
CID 140866988
2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 155291153
3-(2-chloroethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984026
3-(4-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 28752075
4-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoic acid
CID 5253531
8-chloro-3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 82529112
3-(4-chlorophenyl)-N-phenylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 101412486
3-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255676
8-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyrimidine-6-carboxylic acid
CID 141366500
3-(2-aminopropyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254982
4-amino-1-pyrimidin-2-ylpyrazole-3-carboxylic acid
CID 107346027

Frequently Asked Questions

What is the IUPAC name of 6-chloroimidazo[1,5-a]pyrimidine-8-carboxylic acid?
The IUPAC name of 6-chloroimidazo[1,5-a]pyrimidine-8-carboxylic acid (CID 83880230) is 6-chloroimidazo[1,5-a]pyrimidine-8-carboxylic acid.
What is the SMILES notation for 6-chloroimidazo[1,5-a]pyrimidine-8-carboxylic acid?
The canonical SMILES for 6-chloroimidazo[1,5-a]pyrimidine-8-carboxylic acid is O=C(O)c1nc(Cl)n2cccnc12.
What is the InChIKey of 6-chloroimidazo[1,5-a]pyrimidine-8-carboxylic acid?
The InChIKey is GFJPUKTTYZSTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3O2/c8-7-10-4(6(12)13)5-9-2-1-3-11(5)7/h1-3H,(H,12,13).
What are the key properties of 6-chloroimidazo[1,5-a]pyrimidine-8-carboxylic acid?
6-chloroimidazo[1,5-a]pyrimidine-8-carboxylic acid has a molecular weight of 197.58 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloroimidazo[1,5-a]pyrimidine-8-carboxylic acid is sourced from PubChem (CID 83880230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).