2-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid

C15H14F3N5O4 — CID 175770507

IUPAC2-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)Cc1ccc(/N=N/c2ccccc2O)c(N)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H13N5O2.C2HF3O2/c14-12(20)7-8-5-6-10(13(15)16-8)18-17-9-3-1-2-4-11(9)19;3-2(4,5)1(6)7/h1-6,19H,7H2,(H2,14,20)(H2,15,16);(H,6,7)/b18-17+;
InChIKeyKDSLALJIDAEDCL-ZAGWXBKKSA-N
MW385.30 g/mol
LogP2.45
Rot. Bonds4

About 2-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid

2-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 175770507) has the molecular formula C15H14F3N5O4 and a molecular weight of 385.30 g/mol. Its IUPAC name is 2-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID175770507
Molecular FormulaC15H14F3N5O4
Molecular Weight385.30 g/mol
Exact Mass385.10
IUPAC Name2-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)Cc1ccc(/N=N/c2ccccc2O)c(N)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H13N5O2.C2HF3O2/c14-12(20)7-8-5-6-10(13(15)16-8)18-17-9-3-1-2-4-11(9)19;3-2(4,5)1(6)7/h1-6,19H,7H2,(H2,14,20)(H2,15,16);(H,6,7)/b18-17+;
InChIKeyKDSLALJIDAEDCL-ZAGWXBKKSA-N
XLogP2.45
TPSA164.25 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid (CID 175770507) is 2-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid is NC(=O)Cc1ccc(/N=N/c2ccccc2O)c(N)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is KDSLALJIDAEDCL-ZAGWXBKKSA-N. The full InChI is InChI=1S/C13H13N5O2.C2HF3O2/c14-12(20)7-8-5-6-10(13(15)16-8)18-17-9-3-1-2-4-11(9)19;3-2(4,5)1(6)7/h1-6,19H,7H2,(H2,14,20)(H2,15,16);(H,6,7)/b18-17+;.
What are the key properties of 2-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid?
2-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 385.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175770507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).