5-bromoporphyrin

C20H11BrN4 — CID 67151953

IUPAC5-bromoporphyrin
SMILESBr/C1=C2\C=CC(=N2)/C=C2/C=CC(=N2)/C=C2/C=CC(=N2)/C=C2/C=CC1=N2
InChIInChI=1S/C20H11BrN4/c21-20-18-7-5-16(24-18)10-14-3-1-12(22-14)9-13-2-4-15(23-13)11-17-6-8-19(20)25-17/h1-11H/b12-9-,13-9-,14-10-,15-11-,16-10-,17-11-,20-18+,20-19+
InChIKeyZFTGQOXTSLAYBE-DRCNEUIKSA-N
MW387.24 g/mol
LogP4.30
Rot. Bonds

About 5-bromoporphyrin

5-bromoporphyrin (PubChem CID 67151953) has the molecular formula C20H11BrN4 and a molecular weight of 387.24 g/mol. Its IUPAC name is 5-bromoporphyrin.

Molecular Properties

Compound Name5-bromoporphyrin
PubChem CID67151953
Molecular FormulaC20H11BrN4
Molecular Weight387.24 g/mol
Exact Mass386.02
IUPAC Name5-bromoporphyrin
SMILESBr/C1=C2\C=CC(=N2)/C=C2/C=CC(=N2)/C=C2/C=CC(=N2)/C=C2/C=CC1=N2
InChIInChI=1S/C20H11BrN4/c21-20-18-7-5-16(24-18)10-14-3-1-12(22-14)9-13-2-4-15(23-13)11-17-6-8-19(20)25-17/h1-11H/b12-9-,13-9-,14-10-,15-11-,16-10-,17-11-,20-18+,20-19+
InChIKeyZFTGQOXTSLAYBE-DRCNEUIKSA-N
XLogP4.30
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromoporphyrin?
The IUPAC name of 5-bromoporphyrin (CID 67151953) is 5-bromoporphyrin.
What is the SMILES notation for 5-bromoporphyrin?
The canonical SMILES for 5-bromoporphyrin is Br/C1=C2\C=CC(=N2)/C=C2/C=CC(=N2)/C=C2/C=CC(=N2)/C=C2/C=CC1=N2.
What is the InChIKey of 5-bromoporphyrin?
The InChIKey is ZFTGQOXTSLAYBE-DRCNEUIKSA-N. The full InChI is InChI=1S/C20H11BrN4/c21-20-18-7-5-16(24-18)10-14-3-1-12(22-14)9-13-2-4-15(23-13)11-17-6-8-19(20)25-17/h1-11H/b12-9-,13-9-,14-10-,15-11-,16-10-,17-11-,20-18+,20-19+.
What are the key properties of 5-bromoporphyrin?
5-bromoporphyrin has a molecular weight of 387.24 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromoporphyrin is sourced from PubChem (CID 67151953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).