4-chloro-8-iodo-7-methylpyrazolo[1,5-a][1,3,5]triazine-2-carboxylic acid

C7H4ClIN4O2 — CID 155895196

IUPAC4-chloro-8-iodo-7-methylpyrazolo[1,5-a][1,3,5]triazine-2-carboxylic acid
SMILESCc1nn2c(Cl)nc(C(=O)O)nc2c1I
InChIInChI=1S/C7H4ClIN4O2/c1-2-3(9)5-10-4(6(14)15)11-7(8)13(5)12-2/h1H3,(H,14,15)
InChIKeyRPVZIRNVMMVYFY-UHFFFAOYSA-N
MW338.49 g/mol
LogP1.39
Rot. Bonds1

About 4-chloro-8-iodo-7-methylpyrazolo[1,5-a][1,3,5]triazine-2-carboxylic acid

4-chloro-8-iodo-7-methylpyrazolo[1,5-a][1,3,5]triazine-2-carboxylic acid (PubChem CID 155895196) has the molecular formula C7H4ClIN4O2 and a molecular weight of 338.49 g/mol. Its IUPAC name is 4-chloro-8-iodo-7-methylpyrazolo[1,5-a][1,3,5]triazine-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-8-iodo-7-methylpyrazolo[1,5-a][1,3,5]triazine-2-carboxylic acid
PubChem CID155895196
Molecular FormulaC7H4ClIN4O2
Molecular Weight338.49 g/mol
Exact Mass337.91
IUPAC Name4-chloro-8-iodo-7-methylpyrazolo[1,5-a][1,3,5]triazine-2-carboxylic acid
SMILESCc1nn2c(Cl)nc(C(=O)O)nc2c1I
InChIInChI=1S/C7H4ClIN4O2/c1-2-3(9)5-10-4(6(14)15)11-7(8)13(5)12-2/h1H3,(H,14,15)
InChIKeyRPVZIRNVMMVYFY-UHFFFAOYSA-N
XLogP1.39
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5-iodo-6-methylpyrimidine-2-carboxylic acid
CID 142395215
3-iodo-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 86012669
2-(7-chloro-3-iodo-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)propan-1-ol
CID 155895434
5,7-dichloro-6-(4-fluorophenyl)-3-iodo-2-methylpyrazolo[1,5-a]pyrimidine
CID 114514733
4,6-dimethyl-1,3,5-triazine-2-carboxylic acid
CID 58078164
4-chloro-2,7-dimethyl-8-methylsulfonylpyrazolo[1,5-a][1,3,5]triazine
CID 59942107
5-(difluoromethyl)-3-iodo-2,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 165484166
6-chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 44822384
6-chloro-4-methylquinazoline-2-carboxylic acid
CID 84788769
4-iodo-3,5-dimethylpyridine-2,6-dicarboxylic acid
CID 137422664
5-chloro-1H-1,2,4-triazole-3-carboxylic acid
CID 12007254
3-chloro-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 1480664

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-iodo-7-methylpyrazolo[1,5-a][1,3,5]triazine-2-carboxylic acid?
The IUPAC name of 4-chloro-8-iodo-7-methylpyrazolo[1,5-a][1,3,5]triazine-2-carboxylic acid (CID 155895196) is 4-chloro-8-iodo-7-methylpyrazolo[1,5-a][1,3,5]triazine-2-carboxylic acid.
What is the SMILES notation for 4-chloro-8-iodo-7-methylpyrazolo[1,5-a][1,3,5]triazine-2-carboxylic acid?
The canonical SMILES for 4-chloro-8-iodo-7-methylpyrazolo[1,5-a][1,3,5]triazine-2-carboxylic acid is Cc1nn2c(Cl)nc(C(=O)O)nc2c1I.
What is the InChIKey of 4-chloro-8-iodo-7-methylpyrazolo[1,5-a][1,3,5]triazine-2-carboxylic acid?
The InChIKey is RPVZIRNVMMVYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIN4O2/c1-2-3(9)5-10-4(6(14)15)11-7(8)13(5)12-2/h1H3,(H,14,15).
What are the key properties of 4-chloro-8-iodo-7-methylpyrazolo[1,5-a][1,3,5]triazine-2-carboxylic acid?
4-chloro-8-iodo-7-methylpyrazolo[1,5-a][1,3,5]triazine-2-carboxylic acid has a molecular weight of 338.49 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-iodo-7-methylpyrazolo[1,5-a][1,3,5]triazine-2-carboxylic acid is sourced from PubChem (CID 155895196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).