N-(3,5-dichloro-2-hydroxyphenyl)-6-oxo-1H-pyrazine-3-carboxamide

C11H7Cl2N3O3 — CID 104625901

IUPACN-(3,5-dichloro-2-hydroxyphenyl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H7Cl2N3O3/c12-5-1-6(13)10(18)7(2-5)16-11(19)8-3-15-9(17)4-14-8/h1-4,18H,(H,15,17)(H,16,19)
InChIKeyGMVVBZHZMBHWNT-UHFFFAOYSA-N
MW300.10 g/mol
LogP2.03
Rot. Bonds2

About N-(3,5-dichloro-2-hydroxyphenyl)-6-oxo-1H-pyrazine-3-carboxamide

N-(3,5-dichloro-2-hydroxyphenyl)-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 104625901) has the molecular formula C11H7Cl2N3O3 and a molecular weight of 300.10 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxyphenyl)-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxyphenyl)-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID104625901
Molecular FormulaC11H7Cl2N3O3
Molecular Weight300.10 g/mol
Exact Mass298.99
IUPAC NameN-(3,5-dichloro-2-hydroxyphenyl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H7Cl2N3O3/c12-5-1-6(13)10(18)7(2-5)16-11(19)8-3-15-9(17)4-14-8/h1-4,18H,(H,15,17)(H,16,19)
InChIKeyGMVVBZHZMBHWNT-UHFFFAOYSA-N
XLogP2.03
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid
CID 60826073
4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 107675874
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 81269287
2,5-dichloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 103891166
2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide
CID 21431939
N-(3,5-dichloro-2-hydroxyphenyl)-N'-(3,5-dichloro-2-pyridinyl)oxamide
CID 11338414
4-bromo-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid
CID 107812438
N-(4-bromo-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 102674338
N-(3,5-dichloro-2-hydroxyphenyl)-2-hydroxybenzamide
CID 3067488
N-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide
CID 107675698
N-(3,5-dichloro-2-hydroxyphenyl)-3-methylimidazole-4-carboxamide
CID 107675810
6-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-pyrazine-3-carboxamide
CID 112522745

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-6-oxo-1H-pyrazine-3-carboxamide (CID 104625901) is N-(3,5-dichloro-2-hydroxyphenyl)-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxyphenyl)-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxyphenyl)-6-oxo-1H-pyrazine-3-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1O)c1c[nH]c(=O)cn1.
What is the InChIKey of N-(3,5-dichloro-2-hydroxyphenyl)-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is GMVVBZHZMBHWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O3/c12-5-1-6(13)10(18)7(2-5)16-11(19)8-3-15-9(17)4-14-8/h1-4,18H,(H,15,17)(H,16,19).
What are the key properties of N-(3,5-dichloro-2-hydroxyphenyl)-6-oxo-1H-pyrazine-3-carboxamide?
N-(3,5-dichloro-2-hydroxyphenyl)-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 300.10 g/mol, XLogP of 2.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-hydroxyphenyl)-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 104625901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).