5-nitro-1-phosphanyl-2H-indazol-3-one

C7H6N3O3P — CID 23570943

IUPAC5-nitro-1-phosphanyl-2H-indazol-3-one
SMILESO=c1[nH]n(P)c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C7H6N3O3P/c11-7-5-3-4(10(12)13)1-2-6(5)9(14)8-7/h1-3H,14H2,(H,8,11)
InChIKeySSSQYOWRONTRFH-UHFFFAOYSA-N
MW211.12 g/mol
LogP0.88
Rot. Bonds1

About 5-nitro-1-phosphanyl-2H-indazol-3-one

5-nitro-1-phosphanyl-2H-indazol-3-one (PubChem CID 23570943) has the molecular formula C7H6N3O3P and a molecular weight of 211.12 g/mol. Its IUPAC name is 5-nitro-1-phosphanyl-2H-indazol-3-one.

Molecular Properties

Compound Name5-nitro-1-phosphanyl-2H-indazol-3-one
PubChem CID23570943
Molecular FormulaC7H6N3O3P
Molecular Weight211.12 g/mol
Exact Mass211.01
IUPAC Name5-nitro-1-phosphanyl-2H-indazol-3-one
SMILESO=c1[nH]n(P)c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C7H6N3O3P/c11-7-5-3-4(10(12)13)1-2-6(5)9(14)8-7/h1-3H,14H2,(H,8,11)
InChIKeySSSQYOWRONTRFH-UHFFFAOYSA-N
XLogP0.88
TPSA80.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.12
LogP ≤ 50.88
H-Bond Donors ≤ 51
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5-nitro-1-thiophen-2-yl-2H-indazol-3-one
CID 141188033
1-(6-chlorohexyl)-5-nitro-2H-indazol-3-one
CID 10447369
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-nitro-2H-indazol-3-one
CID 44583039
1-[(2,4-dichlorophenyl)methyl]-5-nitro-2H-indazol-3-one
CID 10854473
1-hex-5-enyl-5-nitro-2H-indazol-3-one
CID 10038276
1-[(2-fluorophenyl)methyl]-5-nitro-2H-indazol-3-one
CID 10827124
5-nitro-1-(quinolin-2-ylmethyl)-2H-indazol-3-one
CID 110169545
9-methoxy-3,6-dinitrocarbazole
CID 155908521
1,3-dimethyl-6-nitroquinazoline-2,4-dione
CID 12666513
4-hydroxy-3,6-dinitro-1H-quinolin-2-one
CID 54696471
9-(carbazol-9-ylmethyl)-3-nitrocarbazole
CID 15716134
6-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 4038142

Frequently Asked Questions

What is the IUPAC name of 5-nitro-1-phosphanyl-2H-indazol-3-one?
The IUPAC name of 5-nitro-1-phosphanyl-2H-indazol-3-one (CID 23570943) is 5-nitro-1-phosphanyl-2H-indazol-3-one.
What is the SMILES notation for 5-nitro-1-phosphanyl-2H-indazol-3-one?
The canonical SMILES for 5-nitro-1-phosphanyl-2H-indazol-3-one is O=c1[nH]n(P)c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 5-nitro-1-phosphanyl-2H-indazol-3-one?
The InChIKey is SSSQYOWRONTRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N3O3P/c11-7-5-3-4(10(12)13)1-2-6(5)9(14)8-7/h1-3H,14H2,(H,8,11).
What are the key properties of 5-nitro-1-phosphanyl-2H-indazol-3-one?
5-nitro-1-phosphanyl-2H-indazol-3-one has a molecular weight of 211.12 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-1-phosphanyl-2H-indazol-3-one is sourced from PubChem (CID 23570943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).