10-nitro-21,22-dihydroporphyrin

C20H13N5O2 — CID 173125682

IUPAC10-nitro-21,22-dihydroporphyrin
SMILESO=[N+]([O-])c1c2nc(cc3nc(cc4ccc(cc5ccc1[nH]5)[nH]4)C=C3)C=C2
InChIInChI=1S/C20H13N5O2/c26-25(27)20-18-7-5-16(23-18)10-14-3-1-12(21-14)9-13-2-4-15(22-13)11-17-6-8-19(20)24-17/h1-11,21,23H/b12-9-,13-9-,14-10-,15-11-,16-10-,17-11-,20-18+,20-19+
InChIKeyVOGUCMJQLOZZGR-DRCNEUIKSA-N
MW355.36 g/mol
LogP4.56
Rot. Bonds1

About 10-nitro-21,22-dihydroporphyrin

10-nitro-21,22-dihydroporphyrin (PubChem CID 173125682) has the molecular formula C20H13N5O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 10-nitro-21,22-dihydroporphyrin.

Molecular Properties

Compound Name10-nitro-21,22-dihydroporphyrin
PubChem CID173125682
Molecular FormulaC20H13N5O2
Molecular Weight355.36 g/mol
Exact Mass355.11
IUPAC Name10-nitro-21,22-dihydroporphyrin
SMILESO=[N+]([O-])c1c2nc(cc3nc(cc4ccc(cc5ccc1[nH]5)[nH]4)C=C3)C=C2
InChIInChI=1S/C20H13N5O2/c26-25(27)20-18-7-5-16(23-18)10-14-3-1-12(21-14)9-13-2-4-15(22-13)11-17-6-8-19(20)24-17/h1-11,21,23H/b12-9-,13-9-,14-10-,15-11-,16-10-,17-11-,20-18+,20-19+
InChIKeyVOGUCMJQLOZZGR-DRCNEUIKSA-N
XLogP4.56
TPSA100.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

10-iodo-21,22-dihydroporphyrin
CID 173057969
23,24-dihydro-21H-porphyrin-5-one
CID 66692742
zinc 21,22-dihydroporphyrin
CID 21123910
CID 175757831
CID 175757831
cobalt;21,22-dihydroporphyrin;nitrobenzene
CID 174581534
21,22-dihydroporphyrin;methanone;ruthenium(1+)
CID 175593916
10,20-dimethyl-21,22-dihydroporphyrin
CID 173103171
dizinc;21,22-dihydroporphyrin;tetraiodide
CID 173436903
azane;21,22-dihydroporphyrin;zinc
CID 175189190
21,22-dihydroporphyrin;ethene
CID 158658158
azane;21,22-dihydroporphyrin;iron
CID 175545548
disodium;21,22-dihydroporphyrin;hydride
CID 174339672

Frequently Asked Questions

What is the IUPAC name of 10-nitro-21,22-dihydroporphyrin?
The IUPAC name of 10-nitro-21,22-dihydroporphyrin (CID 173125682) is 10-nitro-21,22-dihydroporphyrin.
What is the SMILES notation for 10-nitro-21,22-dihydroporphyrin?
The canonical SMILES for 10-nitro-21,22-dihydroporphyrin is O=[N+]([O-])c1c2nc(cc3nc(cc4ccc(cc5ccc1[nH]5)[nH]4)C=C3)C=C2.
What is the InChIKey of 10-nitro-21,22-dihydroporphyrin?
The InChIKey is VOGUCMJQLOZZGR-DRCNEUIKSA-N. The full InChI is InChI=1S/C20H13N5O2/c26-25(27)20-18-7-5-16(23-18)10-14-3-1-12(21-14)9-13-2-4-15(22-13)11-17-6-8-19(20)24-17/h1-11,21,23H/b12-9-,13-9-,14-10-,15-11-,16-10-,17-11-,20-18+,20-19+.
What are the key properties of 10-nitro-21,22-dihydroporphyrin?
10-nitro-21,22-dihydroporphyrin has a molecular weight of 355.36 g/mol, XLogP of 4.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-nitro-21,22-dihydroporphyrin is sourced from PubChem (CID 173125682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).