2-[(6-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-4-methyl-1H-pyrimidin-6-one

C13H10FN5O2 — CID 135689752

IUPAC2-[(6-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(/N=N/c2c(O)[nH]c3cc(F)ccc23)n1
InChIInChI=1S/C13H10FN5O2/c1-6-4-10(20)17-13(15-6)19-18-11-8-3-2-7(14)5-9(8)16-12(11)21/h2-5,16,21H,1H3,(H,15,17,20)/b19-18+
InChIKeyFINJQXXMCNGTAW-VHEBQXMUSA-N
MW287.25 g/mol
LogP2.82
Rot. Bonds2

About 2-[(6-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-4-methyl-1H-pyrimidin-6-one

2-[(6-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135689752) has the molecular formula C13H10FN5O2 and a molecular weight of 287.25 g/mol. Its IUPAC name is 2-[(6-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(6-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135689752
Molecular FormulaC13H10FN5O2
Molecular Weight287.25 g/mol
Exact Mass287.08
IUPAC Name2-[(6-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(/N=N/c2c(O)[nH]c3cc(F)ccc23)n1
InChIInChI=1S/C13H10FN5O2/c1-6-4-10(20)17-13(15-6)19-18-11-8-3-2-7(14)5-9(8)16-12(11)21/h2-5,16,21H,1H3,(H,15,17,20)/b19-18+
InChIKeyFINJQXXMCNGTAW-VHEBQXMUSA-N
XLogP2.82
TPSA106.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(6-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-4-methyl-1H-pyrimidin-6-one (CID 135689752) is 2-[(6-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(6-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(6-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(/N=N/c2c(O)[nH]c3cc(F)ccc23)n1.
What is the InChIKey of 2-[(6-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is FINJQXXMCNGTAW-VHEBQXMUSA-N. The full InChI is InChI=1S/C13H10FN5O2/c1-6-4-10(20)17-13(15-6)19-18-11-8-3-2-7(14)5-9(8)16-12(11)21/h2-5,16,21H,1H3,(H,15,17,20)/b19-18+.
What are the key properties of 2-[(6-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-4-methyl-1H-pyrimidin-6-one?
2-[(6-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 287.25 g/mol, XLogP of 2.82, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135689752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).