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

C12H7Cl2N3O4 — CID 61041536

IUPAC2,6-dichloro-N-(4-hydroxy-2-nitrophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1[N+](=O)[O-])c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H7Cl2N3O4/c13-10-3-6(4-11(14)16-10)12(19)15-8-2-1-7(18)5-9(8)17(20)21/h1-5,18H,(H,15,19)
InChIKeyYQBFDPDDPZUIBC-UHFFFAOYSA-N
MW328.11 g/mol
LogP3.25
Rot. Bonds3

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

2,6-dichloro-N-(4-hydroxy-2-nitrophenyl)pyridine-4-carboxamide (PubChem CID 61041536) has the molecular formula C12H7Cl2N3O4 and a molecular weight of 328.11 g/mol. Its IUPAC name is 2,6-dichloro-N-(4-hydroxy-2-nitrophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(4-hydroxy-2-nitrophenyl)pyridine-4-carboxamide
PubChem CID61041536
Molecular FormulaC12H7Cl2N3O4
Molecular Weight328.11 g/mol
Exact Mass326.98
IUPAC Name2,6-dichloro-N-(4-hydroxy-2-nitrophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1[N+](=O)[O-])c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H7Cl2N3O4/c13-10-3-6(4-11(14)16-10)12(19)15-8-2-1-7(18)5-9(8)17(20)21/h1-5,18H,(H,15,19)
InChIKeyYQBFDPDDPZUIBC-UHFFFAOYSA-N
XLogP3.25
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.11
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 60954513
N-(4-hydroxy-2-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 61259784
3-amino-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 43695956
2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 107988108
N-(4-fluoro-2-nitrophenyl)-4-hydroxybenzamide
CID 110483155
2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide
CID 60651052
6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide
CID 22668935
N-(4-hydroxy-2-nitrophenyl)-2-methylpropanamide
CID 64592033
3-bromo-N-(4-hydroxy-2-nitrophenyl)pyridine-2-carboxamide
CID 107518199
N-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide
CID 104820312
2-amino-5-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 43695935
4-(methylamino)-3-nitrophenol
CID 22832045

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(4-hydroxy-2-nitrophenyl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(4-hydroxy-2-nitrophenyl)pyridine-4-carboxamide (CID 61041536) is 2,6-dichloro-N-(4-hydroxy-2-nitrophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(4-hydroxy-2-nitrophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(4-hydroxy-2-nitrophenyl)pyridine-4-carboxamide is O=C(Nc1ccc(O)cc1[N+](=O)[O-])c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-(4-hydroxy-2-nitrophenyl)pyridine-4-carboxamide?
The InChIKey is YQBFDPDDPZUIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O4/c13-10-3-6(4-11(14)16-10)12(19)15-8-2-1-7(18)5-9(8)17(20)21/h1-5,18H,(H,15,19).
What are the key properties of 2,6-dichloro-N-(4-hydroxy-2-nitrophenyl)pyridine-4-carboxamide?
2,6-dichloro-N-(4-hydroxy-2-nitrophenyl)pyridine-4-carboxamide has a molecular weight of 328.11 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(4-hydroxy-2-nitrophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 61041536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).