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

C14H12Cl2N2O2 — CID 61052606

IUPAC3,6-dichloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2nc(Cl)ccc2Cl)c(C)c1O
InChIInChI=1S/C14H12Cl2N2O2/c1-7-3-5-10(8(2)13(7)19)17-14(20)12-9(15)4-6-11(16)18-12/h3-6,19H,1-2H3,(H,17,20)
InChIKeyXGIATOMQYKNWEY-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.96
Rot. Bonds2

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

3,6-dichloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-2-carboxamide (PubChem CID 61052606) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 3,6-dichloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-2-carboxamide
PubChem CID61052606
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name3,6-dichloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2nc(Cl)ccc2Cl)c(C)c1O
InChIInChI=1S/C14H12Cl2N2O2/c1-7-3-5-10(8(2)13(7)19)17-14(20)12-9(15)4-6-11(16)18-12/h3-6,19H,1-2H3,(H,17,20)
InChIKeyXGIATOMQYKNWEY-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'}

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Related Compounds

3,6-dichloro-N-(2-methylphenyl)pyridine-2-carboxamide
CID 26914379
N-(6-bromo-2-methyl-3-pyridinyl)-3,6-dichloropyridine-2-carboxamide
CID 103909595
N-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide
CID 104723154
3,6-dichloro-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 60651020
3,6-dichloro-N-(2-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 79042463
3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 26364309
3,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-2-carboxamide
CID 65486049
3,6-dichloro-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 26290782
3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-4-iodobenzamide
CID 103828130
5-chloro-N-(3-hydroxy-2,4-dimethylphenyl)furan-2-carboxamide
CID 113290206
3,6-dichloro-N-[5-methyl-2-(methylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 129130468
3,6-dichloro-N-(2-phenylphenyl)pyridine-2-carboxamide
CID 26727633

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-2-carboxamide (CID 61052606) is 3,6-dichloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2nc(Cl)ccc2Cl)c(C)c1O.
What is the InChIKey of 3,6-dichloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-2-carboxamide?
The InChIKey is XGIATOMQYKNWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-7-3-5-10(8(2)13(7)19)17-14(20)12-9(15)4-6-11(16)18-12/h3-6,19H,1-2H3,(H,17,20).
What are the key properties of 3,6-dichloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-2-carboxamide?
3,6-dichloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-2-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 3,6-dichloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 61052606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).