6-N-(2-chloro-4-iodophenyl)-1H-indazole-5,6-diamine

C13H10ClIN4 — CID 107606267

IUPAC6-N-(2-chloro-4-iodophenyl)-1H-indazole-5,6-diamine
SMILESNc1cc2cn[nH]c2cc1Nc1ccc(I)cc1Cl
InChIInChI=1S/C13H10ClIN4/c14-9-4-8(15)1-2-11(9)18-13-5-12-7(3-10(13)16)6-17-19-12/h1-6,18H,16H2,(H,17,19)
InChIKeySNMIESKIZLMANL-UHFFFAOYSA-N
MW384.61 g/mol
LogP4.15
Rot. Bonds2

About 6-N-(2-chloro-4-iodophenyl)-1H-indazole-5,6-diamine

6-N-(2-chloro-4-iodophenyl)-1H-indazole-5,6-diamine (PubChem CID 107606267) has the molecular formula C13H10ClIN4 and a molecular weight of 384.61 g/mol. Its IUPAC name is 6-N-(2-chloro-4-iodophenyl)-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-(2-chloro-4-iodophenyl)-1H-indazole-5,6-diamine
PubChem CID107606267
Molecular FormulaC13H10ClIN4
Molecular Weight384.61 g/mol
Exact Mass383.96
IUPAC Name6-N-(2-chloro-4-iodophenyl)-1H-indazole-5,6-diamine
SMILESNc1cc2cn[nH]c2cc1Nc1ccc(I)cc1Cl
InChIInChI=1S/C13H10ClIN4/c14-9-4-8(15)1-2-11(9)18-13-5-12-7(3-10(13)16)6-17-19-12/h1-6,18H,16H2,(H,17,19)
InChIKeySNMIESKIZLMANL-UHFFFAOYSA-N
XLogP4.15
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.61
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-N-(2-chloro-5-methoxyphenyl)-1H-indazole-5,6-diamine
CID 107489707
6-N-(2,5-dibromophenyl)-1H-indazole-5,6-diamine
CID 107489373
6-N-(5-bromo-2-methylphenyl)-1H-indazole-5,6-diamine
CID 107489116
6-N-(4-bromo-2-ethylphenyl)-1H-indazole-5,6-diamine
CID 107490746
6-N-(4-propan-2-yloxyphenyl)-1H-indazole-5,6-diamine
CID 107488738
4-iodo-1-N-(2,4,5-trichlorophenyl)benzene-1,2-diamine
CID 66066255
6-N-tert-butyl-1H-indazole-5,6-diamine
CID 107488480
6-amino-7-(2-chloro-4-iodoanilino)-3H-quinazolin-4-one
CID 136716829
6-N-(3-bromo-4-fluorophenyl)-1H-indazole-5,6-diamine
CID 107490964
6-N-(2-aminoethyl)-1H-indazole-5,6-diamine
CID 107490038
6-N-(2,4-dibromo-5-methoxyphenyl)-1H-indazole-5,6-diamine
CID 107491236
2-N-(2-chloro-4-iodophenyl)-6-methylpyridine-2,5-diamine
CID 107606139

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-chloro-4-iodophenyl)-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-(2-chloro-4-iodophenyl)-1H-indazole-5,6-diamine (CID 107606267) is 6-N-(2-chloro-4-iodophenyl)-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-(2-chloro-4-iodophenyl)-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-(2-chloro-4-iodophenyl)-1H-indazole-5,6-diamine is Nc1cc2cn[nH]c2cc1Nc1ccc(I)cc1Cl.
What is the InChIKey of 6-N-(2-chloro-4-iodophenyl)-1H-indazole-5,6-diamine?
The InChIKey is SNMIESKIZLMANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClIN4/c14-9-4-8(15)1-2-11(9)18-13-5-12-7(3-10(13)16)6-17-19-12/h1-6,18H,16H2,(H,17,19).
What are the key properties of 6-N-(2-chloro-4-iodophenyl)-1H-indazole-5,6-diamine?
6-N-(2-chloro-4-iodophenyl)-1H-indazole-5,6-diamine has a molecular weight of 384.61 g/mol, XLogP of 4.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-chloro-4-iodophenyl)-1H-indazole-5,6-diamine is sourced from PubChem (CID 107606267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).