3,5-dichloro-6-hydrazinyl-N-(5-iodo-2-methylphenyl)pyridin-2-amine

C12H11Cl2IN4 — CID 114258206

IUPAC3,5-dichloro-6-hydrazinyl-N-(5-iodo-2-methylphenyl)pyridin-2-amine
SMILESCc1ccc(I)cc1Nc1nc(NN)c(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2IN4/c1-6-2-3-7(15)4-10(6)17-11-8(13)5-9(14)12(18-11)19-16/h2-5H,16H2,1H3,(H2,17,18,19)
InChIKeyGZQHVLLMTYJOPE-UHFFFAOYSA-N
MW409.06 g/mol
LogP4.33
Rot. Bonds3

About 3,5-dichloro-6-hydrazinyl-N-(5-iodo-2-methylphenyl)pyridin-2-amine

3,5-dichloro-6-hydrazinyl-N-(5-iodo-2-methylphenyl)pyridin-2-amine (PubChem CID 114258206) has the molecular formula C12H11Cl2IN4 and a molecular weight of 409.06 g/mol. Its IUPAC name is 3,5-dichloro-6-hydrazinyl-N-(5-iodo-2-methylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-hydrazinyl-N-(5-iodo-2-methylphenyl)pyridin-2-amine
PubChem CID114258206
Molecular FormulaC12H11Cl2IN4
Molecular Weight409.06 g/mol
Exact Mass407.94
IUPAC Name3,5-dichloro-6-hydrazinyl-N-(5-iodo-2-methylphenyl)pyridin-2-amine
SMILESCc1ccc(I)cc1Nc1nc(NN)c(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2IN4/c1-6-2-3-7(15)4-10(6)17-11-8(13)5-9(14)12(18-11)19-16/h2-5H,16H2,1H3,(H2,17,18,19)
InChIKeyGZQHVLLMTYJOPE-UHFFFAOYSA-N
XLogP4.33
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.06
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-hydrazinyl-N-(5-iodo-2-methylphenyl)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-hydrazinyl-N-(5-iodo-2-methylphenyl)pyridin-2-amine (CID 114258206) is 3,5-dichloro-6-hydrazinyl-N-(5-iodo-2-methylphenyl)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-hydrazinyl-N-(5-iodo-2-methylphenyl)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-hydrazinyl-N-(5-iodo-2-methylphenyl)pyridin-2-amine is Cc1ccc(I)cc1Nc1nc(NN)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-hydrazinyl-N-(5-iodo-2-methylphenyl)pyridin-2-amine?
The InChIKey is GZQHVLLMTYJOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2IN4/c1-6-2-3-7(15)4-10(6)17-11-8(13)5-9(14)12(18-11)19-16/h2-5H,16H2,1H3,(H2,17,18,19).
What are the key properties of 3,5-dichloro-6-hydrazinyl-N-(5-iodo-2-methylphenyl)pyridin-2-amine?
3,5-dichloro-6-hydrazinyl-N-(5-iodo-2-methylphenyl)pyridin-2-amine has a molecular weight of 409.06 g/mol, XLogP of 4.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-hydrazinyl-N-(5-iodo-2-methylphenyl)pyridin-2-amine is sourced from PubChem (CID 114258206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).