5-bromo-2-diaminophosphorylfuran-3-carboxamide

C5H7BrN3O3P — CID 67648191

IUPAC5-bromo-2-diaminophosphorylfuran-3-carboxamide
SMILESNC(=O)c1cc(Br)oc1P(N)(N)=O
InChIInChI=1S/C5H7BrN3O3P/c6-3-1-2(4(7)10)5(12-3)13(8,9)11/h1H,(H2,7,10)(H4,8,9,11)
InChIKeyVPHVJCSXKFTYTE-UHFFFAOYSA-N
MW268.01 g/mol
LogP-0.12
Rot. Bonds2

About 5-bromo-2-diaminophosphorylfuran-3-carboxamide

5-bromo-2-diaminophosphorylfuran-3-carboxamide (PubChem CID 67648191) has the molecular formula C5H7BrN3O3P and a molecular weight of 268.01 g/mol. Its IUPAC name is 5-bromo-2-diaminophosphorylfuran-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-diaminophosphorylfuran-3-carboxamide
PubChem CID67648191
Molecular FormulaC5H7BrN3O3P
Molecular Weight268.01 g/mol
Exact Mass266.94
IUPAC Name5-bromo-2-diaminophosphorylfuran-3-carboxamide
SMILESNC(=O)c1cc(Br)oc1P(N)(N)=O
InChIInChI=1S/C5H7BrN3O3P/c6-3-1-2(4(7)10)5(12-3)13(8,9)11/h1H,(H2,7,10)(H4,8,9,11)
InChIKeyVPHVJCSXKFTYTE-UHFFFAOYSA-N
XLogP-0.12
TPSA125.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.01
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-diaminophosphorylfuran-3-carboxamide?
The IUPAC name of 5-bromo-2-diaminophosphorylfuran-3-carboxamide (CID 67648191) is 5-bromo-2-diaminophosphorylfuran-3-carboxamide.
What is the SMILES notation for 5-bromo-2-diaminophosphorylfuran-3-carboxamide?
The canonical SMILES for 5-bromo-2-diaminophosphorylfuran-3-carboxamide is NC(=O)c1cc(Br)oc1P(N)(N)=O.
What is the InChIKey of 5-bromo-2-diaminophosphorylfuran-3-carboxamide?
The InChIKey is VPHVJCSXKFTYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN3O3P/c6-3-1-2(4(7)10)5(12-3)13(8,9)11/h1H,(H2,7,10)(H4,8,9,11).
What are the key properties of 5-bromo-2-diaminophosphorylfuran-3-carboxamide?
5-bromo-2-diaminophosphorylfuran-3-carboxamide has a molecular weight of 268.01 g/mol, XLogP of -0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-diaminophosphorylfuran-3-carboxamide is sourced from PubChem (CID 67648191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).