1-(2-amino-6-chloropyrimidin-4-yl)-6-iodo-1H-indazole-3-carboxylic acid

HCID 86669600
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Basic information

Standard SMILES
Nc1nc(Cl)cc(-n2nc(C(=O)O)c3ccc(I)cc32)n1
InChIKey
YOCKLXGYGSMEOB-UHFFFAOYSA-N
Molecular formula
C12H7ClIN5O2
Average molar mass
415.57 g/mol

Names & identifiers

Preferred name
1-(2-amino-6-chloropyrimidin-4-yl)-6-iodo-1H-indazole-3-carboxylic acid
IUPAC
1-(2-amino-6-chloropyrimidin-4-yl)-6-iodoindazole-3-carboxylic acid

Names & synonyms

1-(2-amino-6-chloropyrimidin-4-yl)-6-iodo-1H-indazole-3-carboxylic acidSCHEMBL11970561YOCKLXGYGSMEOB-UHFFFAOYSA-NDB-1314331394120-67-2

Database identifiers

PubChem CID
86669600

Properties

Computed structural properties

XLogP
3
Topological polar surface area
107 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
21

Related reactions

2 records
New reaction record

Linked notes

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