N-[6-(2,6-dichloropurin-9-yl)-2-(trifluoromethoxy)-3-pyridinyl]-N-hydroxyacetamide

C13H7Cl2F3N6O3 — CID 137414010

IUPACN-[6-(2,6-dichloropurin-9-yl)-2-(trifluoromethoxy)-3-pyridinyl]-N-hydroxyacetamide
SMILESCC(=O)N(O)c1ccc(-n2cnc3c(Cl)nc(Cl)nc32)nc1OC(F)(F)F
InChIInChI=1S/C13H7Cl2F3N6O3/c1-5(25)24(26)6-2-3-7(20-11(6)27-13(16,17)18)23-4-19-8-9(14)21-12(15)22-10(8)23/h2-4,26H,1H3
InChIKeySZDJZSXRLHIVKP-UHFFFAOYSA-N
MW423.14 g/mol
LogP3.16
Rot. Bonds3

About N-[6-(2,6-dichloropurin-9-yl)-2-(trifluoromethoxy)-3-pyridinyl]-N-hydroxyacetamide

N-[6-(2,6-dichloropurin-9-yl)-2-(trifluoromethoxy)-3-pyridinyl]-N-hydroxyacetamide (PubChem CID 137414010) has the molecular formula C13H7Cl2F3N6O3 and a molecular weight of 423.14 g/mol. Its IUPAC name is N-[6-(2,6-dichloropurin-9-yl)-2-(trifluoromethoxy)-3-pyridinyl]-N-hydroxyacetamide.

Molecular Properties

Compound NameN-[6-(2,6-dichloropurin-9-yl)-2-(trifluoromethoxy)-3-pyridinyl]-N-hydroxyacetamide
PubChem CID137414010
Molecular FormulaC13H7Cl2F3N6O3
Molecular Weight423.14 g/mol
Exact Mass421.99
IUPAC NameN-[6-(2,6-dichloropurin-9-yl)-2-(trifluoromethoxy)-3-pyridinyl]-N-hydroxyacetamide
SMILESCC(=O)N(O)c1ccc(-n2cnc3c(Cl)nc(Cl)nc32)nc1OC(F)(F)F
InChIInChI=1S/C13H7Cl2F3N6O3/c1-5(25)24(26)6-2-3-7(20-11(6)27-13(16,17)18)23-4-19-8-9(14)21-12(15)22-10(8)23/h2-4,26H,1H3
InChIKeySZDJZSXRLHIVKP-UHFFFAOYSA-N
XLogP3.16
TPSA106.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.14
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(6-chloro-2-methylpurin-9-yl)phenyl]-N-methylacetamide
CID 57381763
1-(4-chlorophenyl)-2-(2,6-dichloropurin-9-yl)ethanone
CID 170775423
N-(6-chloro-9-trimethylsilylpurin-2-yl)-N-trimethylsilylacetamide
CID 11132025
[(2S,3S,4S,5S)-3,4-diacetyloxy-5-(2,6-dichloropurin-9-yl)oxolan-2-yl]methyl acetate
CID 87921820
tert-butyl N-[9-(4-bromophenyl)-6-chloropurin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 11993827
tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2,6-dichloropurin-9-yl)but-2-enoxy]-dimethylsilane
CID 11734039
2,6-dichloro-9-[methoxy(phenyl)methyl]purine
CID 22719774
tert-butyl N-[(1R,2R,3R,4R)-4-(2,6-dichloropurin-9-yl)-2,3-dihydroxycyclopentyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 87238424
[(2R,3R,4R,5R)-4-acetyloxy-5-(2,6-dichloropurin-9-yl)-2-(sulfamoyloxymethyl)oxolan-3-yl] acetate
CID 10480462
ethyl 7-(2,6-dichloropurin-9-yl)heptanoate
CID 118366979
2-(2,6-dichloropurin-9-yl)-N-(4-methylsulfinylphenyl)acetamide
CID 177001298
2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol
CID 155689585

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dichloropurin-9-yl)-2-(trifluoromethoxy)-3-pyridinyl]-N-hydroxyacetamide?
The IUPAC name of N-[6-(2,6-dichloropurin-9-yl)-2-(trifluoromethoxy)-3-pyridinyl]-N-hydroxyacetamide (CID 137414010) is N-[6-(2,6-dichloropurin-9-yl)-2-(trifluoromethoxy)-3-pyridinyl]-N-hydroxyacetamide.
What is the SMILES notation for N-[6-(2,6-dichloropurin-9-yl)-2-(trifluoromethoxy)-3-pyridinyl]-N-hydroxyacetamide?
The canonical SMILES for N-[6-(2,6-dichloropurin-9-yl)-2-(trifluoromethoxy)-3-pyridinyl]-N-hydroxyacetamide is CC(=O)N(O)c1ccc(-n2cnc3c(Cl)nc(Cl)nc32)nc1OC(F)(F)F.
What is the InChIKey of N-[6-(2,6-dichloropurin-9-yl)-2-(trifluoromethoxy)-3-pyridinyl]-N-hydroxyacetamide?
The InChIKey is SZDJZSXRLHIVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3N6O3/c1-5(25)24(26)6-2-3-7(20-11(6)27-13(16,17)18)23-4-19-8-9(14)21-12(15)22-10(8)23/h2-4,26H,1H3.
What are the key properties of N-[6-(2,6-dichloropurin-9-yl)-2-(trifluoromethoxy)-3-pyridinyl]-N-hydroxyacetamide?
N-[6-(2,6-dichloropurin-9-yl)-2-(trifluoromethoxy)-3-pyridinyl]-N-hydroxyacetamide has a molecular weight of 423.14 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dichloropurin-9-yl)-2-(trifluoromethoxy)-3-pyridinyl]-N-hydroxyacetamide is sourced from PubChem (CID 137414010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).