2,3-diamino-7-iodofluoren-9-one

C13H9IN2O — CID 12018453

IUPAC2,3-diamino-7-iodofluoren-9-one
SMILESNc1cc2c(cc1N)-c1ccc(I)cc1C2=O
InChIInChI=1S/C13H9IN2O/c14-6-1-2-7-8-4-11(15)12(16)5-10(8)13(17)9(7)3-6/h1-5H,15-16H2
InChIKeyCNRPNBLOQPZBGW-UHFFFAOYSA-N
MW336.13 g/mol
LogP2.67
Rot. Bonds

About 2,3-diamino-7-iodofluoren-9-one

2,3-diamino-7-iodofluoren-9-one (PubChem CID 12018453) has the molecular formula C13H9IN2O and a molecular weight of 336.13 g/mol. Its IUPAC name is 2,3-diamino-7-iodofluoren-9-one.

Molecular Properties

Compound Name2,3-diamino-7-iodofluoren-9-one
PubChem CID12018453
Molecular FormulaC13H9IN2O
Molecular Weight336.13 g/mol
Exact Mass335.98
IUPAC Name2,3-diamino-7-iodofluoren-9-one
SMILESNc1cc2c(cc1N)-c1ccc(I)cc1C2=O
InChIInChI=1S/C13H9IN2O/c14-6-1-2-7-8-4-11(15)12(16)5-10(8)13(17)9(7)3-6/h1-5H,15-16H2
InChIKeyCNRPNBLOQPZBGW-UHFFFAOYSA-N
XLogP2.67
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.13
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-7-iodofluoren-9-one?
The IUPAC name of 2,3-diamino-7-iodofluoren-9-one (CID 12018453) is 2,3-diamino-7-iodofluoren-9-one.
What is the SMILES notation for 2,3-diamino-7-iodofluoren-9-one?
The canonical SMILES for 2,3-diamino-7-iodofluoren-9-one is Nc1cc2c(cc1N)-c1ccc(I)cc1C2=O.
What is the InChIKey of 2,3-diamino-7-iodofluoren-9-one?
The InChIKey is CNRPNBLOQPZBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9IN2O/c14-6-1-2-7-8-4-11(15)12(16)5-10(8)13(17)9(7)3-6/h1-5H,15-16H2.
What are the key properties of 2,3-diamino-7-iodofluoren-9-one?
2,3-diamino-7-iodofluoren-9-one has a molecular weight of 336.13 g/mol, XLogP of 2.67, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-7-iodofluoren-9-one is sourced from PubChem (CID 12018453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).