CID 71732410

C15H7Br2N2O2 — CID 71732410

IUPAC—
SMILESBrc1ccc(C2=NN=C(c3ccc(Br)o3)[C]3[CH][CH][CH][C]32)o1
InChIInChI=1S/C15H7Br2N2O2/c16-12-6-4-10(20-12)14-8-2-1-3-9(8)15(19-18-14)11-5-7-13(17)21-11/h1-7H
InChIKeyJZENTJYQAANUJK-UHFFFAOYSA-N
MW407.04 g/mol
LogP4.38
Rot. Bonds2

About CID 71732410

CID 71732410 (PubChem CID 71732410) has the molecular formula C15H7Br2N2O2 and a molecular weight of 407.04 g/mol.

Molecular Properties

Compound NameCID 71732410
PubChem CID71732410
Molecular FormulaC15H7Br2N2O2
Molecular Weight407.04 g/mol
Exact Mass404.89
IUPAC Name—
SMILESBrc1ccc(C2=NN=C(c3ccc(Br)o3)[C]3[CH][CH][CH][C]32)o1
InChIInChI=1S/C15H7Br2N2O2/c16-12-6-4-10(20-12)14-8-2-1-3-9(8)15(19-18-14)11-5-7-13(17)21-11/h1-7H
InChIKeyJZENTJYQAANUJK-UHFFFAOYSA-N
XLogP4.38
TPSA51.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.04
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 71732410?
The IUPAC name of CID 71732410 (CID 71732410) is not available.
What is the SMILES notation for CID 71732410?
The canonical SMILES for CID 71732410 is Brc1ccc(C2=NN=C(c3ccc(Br)o3)[C]3[CH][CH][CH][C]32)o1.
What is the InChIKey of CID 71732410?
The InChIKey is JZENTJYQAANUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Br2N2O2/c16-12-6-4-10(20-12)14-8-2-1-3-9(8)15(19-18-14)11-5-7-13(17)21-11/h1-7H.
What are the key properties of CID 71732410?
CID 71732410 has a molecular weight of 407.04 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71732410 is sourced from PubChem (CID 71732410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).