CID 102593581

C6H3Br3N — CID 102593581

IUPAC—
SMILES[NH]c1c(Br)cc(Br)cc1Br
InChIInChI=1S/C6H3Br3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKeyAZEZSKZVNUUQNA-UHFFFAOYSA-N
MW328.81 g/mol
LogP3.89
Rot. Bonds

About CID 102593581

CID 102593581 (PubChem CID 102593581) has the molecular formula C6H3Br3N and a molecular weight of 328.81 g/mol.

Molecular Properties

Compound NameCID 102593581
PubChem CID102593581
Molecular FormulaC6H3Br3N
Molecular Weight328.81 g/mol
Exact Mass325.78
IUPAC Name—
SMILES[NH]c1c(Br)cc(Br)cc1Br
InChIInChI=1S/C6H3Br3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKeyAZEZSKZVNUUQNA-UHFFFAOYSA-N
XLogP3.89
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.81
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 102593581?
The IUPAC name of CID 102593581 (CID 102593581) is not available.
What is the SMILES notation for CID 102593581?
The canonical SMILES for CID 102593581 is [NH]c1c(Br)cc(Br)cc1Br.
What is the InChIKey of CID 102593581?
The InChIKey is AZEZSKZVNUUQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H.
What are the key properties of CID 102593581?
CID 102593581 has a molecular weight of 328.81 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102593581 is sourced from PubChem (CID 102593581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).