2-bromoporphyrin

C20H11BrN4 — CID 66593858

IUPAC2-bromoporphyrin
SMILESBrC1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1
InChIInChI=1S/C20H11BrN4/c21-19-10-18-9-16-4-3-14(23-16)7-12-1-2-13(22-12)8-15-5-6-17(24-15)11-20(19)25-18/h1-11H/b12-7-,13-8-,14-7-,15-8-,16-9-,17-11-,18-9-,20-11-
InChIKeyAAEJZESXYLMVGA-ZFGIDIDVSA-N
MW387.24 g/mol
LogP4.30
Rot. Bonds

About 2-bromoporphyrin

2-bromoporphyrin (PubChem CID 66593858) has the molecular formula C20H11BrN4 and a molecular weight of 387.24 g/mol. Its IUPAC name is 2-bromoporphyrin.

Molecular Properties

Compound Name2-bromoporphyrin
PubChem CID66593858
Molecular FormulaC20H11BrN4
Molecular Weight387.24 g/mol
Exact Mass386.02
IUPAC Name2-bromoporphyrin
SMILESBrC1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1
InChIInChI=1S/C20H11BrN4/c21-19-10-18-9-16-4-3-14(23-16)7-12-1-2-13(22-12)8-15-5-6-17(24-15)11-20(19)25-18/h1-11H/b12-7-,13-8-,14-7-,15-8-,16-9-,17-11-,18-9-,20-11-
InChIKeyAAEJZESXYLMVGA-ZFGIDIDVSA-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 2-bromoporphyrin?
The IUPAC name of 2-bromoporphyrin (CID 66593858) is 2-bromoporphyrin.
What is the SMILES notation for 2-bromoporphyrin?
The canonical SMILES for 2-bromoporphyrin is BrC1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1.
What is the InChIKey of 2-bromoporphyrin?
The InChIKey is AAEJZESXYLMVGA-ZFGIDIDVSA-N. The full InChI is InChI=1S/C20H11BrN4/c21-19-10-18-9-16-4-3-14(23-16)7-12-1-2-13(22-12)8-15-5-6-17(24-15)11-20(19)25-18/h1-11H/b12-7-,13-8-,14-7-,15-8-,16-9-,17-11-,18-9-,20-11-.
What are the key properties of 2-bromoporphyrin?
2-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 2-bromoporphyrin is sourced from PubChem (CID 66593858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).