2,3,4,5-tetrabromo-6-hydrazinyl-N-methylaniline

C7H7Br4N3 — CID 130317632

IUPAC2,3,4,5-tetrabromo-6-hydrazinyl-N-methylaniline
SMILESCNc1c(Br)c(Br)c(Br)c(Br)c1NN
InChIInChI=1S/C7H7Br4N3/c1-13-6-4(10)2(8)3(9)5(11)7(6)14-12/h13-14H,12H2,1H3
InChIKeyKMZCAPPBCJGVEO-UHFFFAOYSA-N
MW452.77 g/mol
LogP4.06
Rot. Bonds2

About 2,3,4,5-tetrabromo-6-hydrazinyl-N-methylaniline

2,3,4,5-tetrabromo-6-hydrazinyl-N-methylaniline (PubChem CID 130317632) has the molecular formula C7H7Br4N3 and a molecular weight of 452.77 g/mol. Its IUPAC name is 2,3,4,5-tetrabromo-6-hydrazinyl-N-methylaniline.

Molecular Properties

Compound Name2,3,4,5-tetrabromo-6-hydrazinyl-N-methylaniline
PubChem CID130317632
Molecular FormulaC7H7Br4N3
Molecular Weight452.77 g/mol
Exact Mass448.74
IUPAC Name2,3,4,5-tetrabromo-6-hydrazinyl-N-methylaniline
SMILESCNc1c(Br)c(Br)c(Br)c(Br)c1NN
InChIInChI=1S/C7H7Br4N3/c1-13-6-4(10)2(8)3(9)5(11)7(6)14-12/h13-14H,12H2,1H3
InChIKeyKMZCAPPBCJGVEO-UHFFFAOYSA-N
XLogP4.06
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.77
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2,3,4,5-tetrabromo-6-hydrazinyl-N-methylaniline?
The IUPAC name of 2,3,4,5-tetrabromo-6-hydrazinyl-N-methylaniline (CID 130317632) is 2,3,4,5-tetrabromo-6-hydrazinyl-N-methylaniline.
What is the SMILES notation for 2,3,4,5-tetrabromo-6-hydrazinyl-N-methylaniline?
The canonical SMILES for 2,3,4,5-tetrabromo-6-hydrazinyl-N-methylaniline is CNc1c(Br)c(Br)c(Br)c(Br)c1NN.
What is the InChIKey of 2,3,4,5-tetrabromo-6-hydrazinyl-N-methylaniline?
The InChIKey is KMZCAPPBCJGVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br4N3/c1-13-6-4(10)2(8)3(9)5(11)7(6)14-12/h13-14H,12H2,1H3.
What are the key properties of 2,3,4,5-tetrabromo-6-hydrazinyl-N-methylaniline?
2,3,4,5-tetrabromo-6-hydrazinyl-N-methylaniline has a molecular weight of 452.77 g/mol, XLogP of 4.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrabromo-6-hydrazinyl-N-methylaniline is sourced from PubChem (CID 130317632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).