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

C12H7Cl2N3O4 — CID 107679593

IUPAC5,6-dichloro-N-(2-hydroxy-6-nitrophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1c(O)cccc1[N+](=O)[O-])c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl2N3O4/c13-7-4-6(5-15-11(7)14)12(19)16-10-8(17(20)21)2-1-3-9(10)18/h1-5,18H,(H,16,19)
InChIKeyXVXOFVGPCFBUNM-UHFFFAOYSA-N
MW328.11 g/mol
LogP3.25
Rot. Bonds3

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

5,6-dichloro-N-(2-hydroxy-6-nitrophenyl)pyridine-3-carboxamide (PubChem CID 107679593) has the molecular formula C12H7Cl2N3O4 and a molecular weight of 328.11 g/mol. Its IUPAC name is 5,6-dichloro-N-(2-hydroxy-6-nitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(2-hydroxy-6-nitrophenyl)pyridine-3-carboxamide
PubChem CID107679593
Molecular FormulaC12H7Cl2N3O4
Molecular Weight328.11 g/mol
Exact Mass326.98
IUPAC Name5,6-dichloro-N-(2-hydroxy-6-nitrophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1c(O)cccc1[N+](=O)[O-])c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl2N3O4/c13-7-4-6(5-15-11(7)14)12(19)16-10-8(17(20)21)2-1-3-9(10)18/h1-5,18H,(H,16,19)
InChIKeyXVXOFVGPCFBUNM-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': 'catechol', '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

N-(2-hydroxy-6-nitrophenyl)pyrimidine-5-carboxamide
CID 107681442
2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681178
5-fluoro-N-(2-hydroxy-6-nitrophenyl)pyridine-2-carboxamide
CID 107681305
3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681117
4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107679552
2-chloro-3-fluoro-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681321
3-fluoro-N-(2-hydroxy-6-nitrophenyl)-5-methylbenzamide
CID 107681232
3-chloro-N-(2,6-difluorophenyl)-4-nitrobenzamide
CID 82775247
N-(3-bromophenyl)-5,6-dichloropyridine-3-carboxamide
CID 2095074
2-amino-N-(2-hydroxy-6-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 107680867
N-(5-chloro-2-pyridinyl)-3-hydroxy-4-nitrobenzamide
CID 103604547
4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide
CID 107679551

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(2-hydroxy-6-nitrophenyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(2-hydroxy-6-nitrophenyl)pyridine-3-carboxamide (CID 107679593) is 5,6-dichloro-N-(2-hydroxy-6-nitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(2-hydroxy-6-nitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(2-hydroxy-6-nitrophenyl)pyridine-3-carboxamide is O=C(Nc1c(O)cccc1[N+](=O)[O-])c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(2-hydroxy-6-nitrophenyl)pyridine-3-carboxamide?
The InChIKey is XVXOFVGPCFBUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O4/c13-7-4-6(5-15-11(7)14)12(19)16-10-8(17(20)21)2-1-3-9(10)18/h1-5,18H,(H,16,19).
What are the key properties of 5,6-dichloro-N-(2-hydroxy-6-nitrophenyl)pyridine-3-carboxamide?
5,6-dichloro-N-(2-hydroxy-6-nitrophenyl)pyridine-3-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 5,6-dichloro-N-(2-hydroxy-6-nitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 107679593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).