5,6-dichloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-3-carboxamide

C14H12Cl2N2O2 — CID 106834615

IUPAC5,6-dichloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnc(Cl)c(Cl)c2)c(C)cc1O
InChIInChI=1S/C14H12Cl2N2O2/c1-7-4-12(19)8(2)3-11(7)18-14(20)9-5-10(15)13(16)17-6-9/h3-6,19H,1-2H3,(H,18,20)
InChIKeyYSJMSQZBXOJNMG-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.96
Rot. Bonds2

About 5,6-dichloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-3-carboxamide

5,6-dichloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 106834615) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 5,6-dichloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-3-carboxamide
PubChem CID106834615
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name5,6-dichloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnc(Cl)c(Cl)c2)c(C)cc1O
InChIInChI=1S/C14H12Cl2N2O2/c1-7-4-12(19)8(2)3-11(7)18-14(20)9-5-10(15)13(16)17-6-9/h3-6,19H,1-2H3,(H,18,20)
InChIKeyYSJMSQZBXOJNMG-UHFFFAOYSA-N
XLogP3.96
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-2-carboxamide
CID 106834852
5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide
CID 27687750
N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7929866
N-(4-hydroxy-2,5-dimethylphenyl)-5-methylpyridine-3-carboxamide
CID 106834683
4-[(5,6-dichloropyridine-3-carbonyl)amino]-3-hydroxybenzoic acid
CID 60826406
3-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylbenzamide
CID 106834998
4-[(5,6-dichloropyridine-3-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881402
N-(4-hydroxy-2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 136762067
5,6-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 4848107
5,6-dichloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 4856255
2-chloro-6-ethyl-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-4-carboxamide
CID 106954276
5-chloro-2-[(5,6-dichloropyridine-3-carbonyl)amino]benzoic acid
CID 43092327

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-3-carboxamide (CID 106834615) is 5,6-dichloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-3-carboxamide is Cc1cc(NC(=O)c2cnc(Cl)c(Cl)c2)c(C)cc1O.
What is the InChIKey of 5,6-dichloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is YSJMSQZBXOJNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-7-4-12(19)8(2)3-11(7)18-14(20)9-5-10(15)13(16)17-6-9/h3-6,19H,1-2H3,(H,18,20).
What are the key properties of 5,6-dichloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-3-carboxamide?
5,6-dichloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-3-carboxamide has a molecular weight of 311.17 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 106834615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).