N-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxypyridine-3-carboxamide

C12H8Cl2N2O3 — CID 82884651

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxypyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cncc(O)c1
InChIInChI=1S/C12H8Cl2N2O3/c13-9-2-7(3-10(14)11(9)18)16-12(19)6-1-8(17)5-15-4-6/h1-5,17-18H,(H,16,19)
InChIKeyQQTSOTGWEUTZOF-UHFFFAOYSA-N
MW299.11 g/mol
LogP3.05
Rot. Bonds2

About N-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxypyridine-3-carboxamide

N-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxypyridine-3-carboxamide (PubChem CID 82884651) has the molecular formula C12H8Cl2N2O3 and a molecular weight of 299.11 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxypyridine-3-carboxamide
PubChem CID82884651
Molecular FormulaC12H8Cl2N2O3
Molecular Weight299.11 g/mol
Exact Mass297.99
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxypyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cncc(O)c1
InChIInChI=1S/C12H8Cl2N2O3/c13-9-2-7(3-10(14)11(9)18)16-12(19)6-1-8(17)5-15-4-6/h1-5,17-18H,(H,16,19)
InChIKeyQQTSOTGWEUTZOF-UHFFFAOYSA-N
XLogP3.05
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63865104
N-(4-chloro-3-fluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 63864787
3,4-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 82885265
N-(4-aminophenyl)-5-hydroxypyridine-3-carboxamide
CID 63851550
N-(4-bromophenyl)-5-hydroxypyridine-3-carboxamide
CID 63851687
4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 5119664
5-hydroxy-N-(4-methylsulfanylphenyl)pyridine-3-carboxamide
CID 63864054
N-(3,4-difluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 63864937
3,5-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxybenzamide
CID 169122474
N-(3-acetylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63859581
N-(3,5-dichloro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
CID 82885113
N-(4-ethylphenyl)-5-hydroxypyridine-3-carboxamide
CID 55258455

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxypyridine-3-carboxamide (CID 82884651) is N-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxypyridine-3-carboxamide is O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cncc(O)c1.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxypyridine-3-carboxamide?
The InChIKey is QQTSOTGWEUTZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O3/c13-9-2-7(3-10(14)11(9)18)16-12(19)6-1-8(17)5-15-4-6/h1-5,17-18H,(H,16,19).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxypyridine-3-carboxamide?
N-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxypyridine-3-carboxamide has a molecular weight of 299.11 g/mol, XLogP of 3.05, 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-4-hydroxyphenyl)-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 82884651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).