2,3-dibromoporphyrin

C20H10Br2N4 — CID 66625695

IUPAC2,3-dibromoporphyrin
SMILESBrC1=C(Br)/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3
InChIInChI=1S/C20H10Br2N4/c21-19-17-9-15-5-3-13(24-15)7-11-1-2-12(23-11)8-14-4-6-16(25-14)10-18(26-17)20(19)22/h1-10H/b11-7-,12-8-,13-7-,14-8-,15-9-,16-10-,17-9-,18-10-
InChIKeyLCNOQSVXIULTAQ-ITJRXXQTSA-N
MW466.14 g/mol
LogP5.02
Rot. Bonds

About 2,3-dibromoporphyrin

2,3-dibromoporphyrin (PubChem CID 66625695) has the molecular formula C20H10Br2N4 and a molecular weight of 466.14 g/mol. Its IUPAC name is 2,3-dibromoporphyrin.

Molecular Properties

Compound Name2,3-dibromoporphyrin
PubChem CID66625695
Molecular FormulaC20H10Br2N4
Molecular Weight466.14 g/mol
Exact Mass463.93
IUPAC Name2,3-dibromoporphyrin
SMILESBrC1=C(Br)/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3
InChIInChI=1S/C20H10Br2N4/c21-19-17-9-15-5-3-13(24-15)7-11-1-2-12(23-11)8-14-4-6-16(25-14)10-18(26-17)20(19)22/h1-10H/b11-7-,12-8-,13-7-,14-8-,15-9-,16-10-,17-9-,18-10-
InChIKeyLCNOQSVXIULTAQ-ITJRXXQTSA-N
XLogP5.02
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.14
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dibromodeuteroporphyrin
CID 129657905
Porphyrin-ring
CID 5481287
Cobalt;2-deuterioporphyrin
CID 56947292
2-Deuterioporphyrin
CID 56947293
Porphyrin;ZINC
CID 66593577
CID 66593858
CID 66593858
Copper;porphyrin
CID 66658314
2-(Bromomethyl)porphyrin
CID 66692696
Porphyrin;hydroiodide
CID 67022290
manganese;2H-porphyrin-2-ide
CID 67050440
5-Bromoporphyrin
CID 67151953
2,7-Dibromo-3,8,12,13,17,18-hexamethylporphyrin
CID 67705263

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromoporphyrin?
The IUPAC name of 2,3-dibromoporphyrin (CID 66625695) is 2,3-dibromoporphyrin.
What is the SMILES notation for 2,3-dibromoporphyrin?
The canonical SMILES for 2,3-dibromoporphyrin is BrC1=C(Br)/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3.
What is the InChIKey of 2,3-dibromoporphyrin?
The InChIKey is LCNOQSVXIULTAQ-ITJRXXQTSA-N. The full InChI is InChI=1S/C20H10Br2N4/c21-19-17-9-15-5-3-13(24-15)7-11-1-2-12(23-11)8-14-4-6-16(25-14)10-18(26-17)20(19)22/h1-10H/b11-7-,12-8-,13-7-,14-8-,15-9-,16-10-,17-9-,18-10-.
What are the key properties of 2,3-dibromoporphyrin?
2,3-dibromoporphyrin has a molecular weight of 466.14 g/mol, XLogP of 5.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromoporphyrin is sourced from PubChem (CID 66625695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).