N-(2-hydroxy-5-nitrophenyl)-2-methoxypyridine-3-carboxamide

C13H11N3O5 — CID 103863259

IUPACN-(2-hydroxy-5-nitrophenyl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C13H11N3O5/c1-21-13-9(3-2-6-14-13)12(18)15-10-7-8(16(19)20)4-5-11(10)17/h2-7,17H,1H3,(H,15,18)
InChIKeyAHKMVSHZPKNLAY-UHFFFAOYSA-N
MW289.25 g/mol
LogP1.96
Rot. Bonds4

About N-(2-hydroxy-5-nitrophenyl)-2-methoxypyridine-3-carboxamide

N-(2-hydroxy-5-nitrophenyl)-2-methoxypyridine-3-carboxamide (PubChem CID 103863259) has the molecular formula C13H11N3O5 and a molecular weight of 289.25 g/mol. Its IUPAC name is N-(2-hydroxy-5-nitrophenyl)-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-nitrophenyl)-2-methoxypyridine-3-carboxamide
PubChem CID103863259
Molecular FormulaC13H11N3O5
Molecular Weight289.25 g/mol
Exact Mass289.07
IUPAC NameN-(2-hydroxy-5-nitrophenyl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C13H11N3O5/c1-21-13-9(3-2-6-14-13)12(18)15-10-7-8(16(19)20)4-5-11(10)17/h2-7,17H,1H3,(H,15,18)
InChIKeyAHKMVSHZPKNLAY-UHFFFAOYSA-N
XLogP1.96
TPSA114.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-5-nitrophenyl)-2-methylpyridine-3-carboxamide
CID 103863225
N-(2-hydroxy-5-nitrophenyl)-3-methylpyridine-2-carboxamide
CID 103894425
2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 4525624
N-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide
CID 103863236
N-(2-hydroxy-5-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414727
N-(2-hydroxy-5-nitrophenyl)-2-iodo-3-methylbenzamide
CID 103894392
2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863233
N-(2-methoxy-3-pyridinyl)-3-methylsulfonyl-5-nitrobenzamide
CID 47856433
2-chloro-N-(2-hydroxy-5-methoxyphenyl)-5-nitrobenzamide
CID 165355321
N-(2-bromophenyl)-2-methoxypyridine-3-carboxamide
CID 55023834
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396
3-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 106548159

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-nitrophenyl)-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-5-nitrophenyl)-2-methoxypyridine-3-carboxamide (CID 103863259) is N-(2-hydroxy-5-nitrophenyl)-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-nitrophenyl)-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-nitrophenyl)-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of N-(2-hydroxy-5-nitrophenyl)-2-methoxypyridine-3-carboxamide?
The InChIKey is AHKMVSHZPKNLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5/c1-21-13-9(3-2-6-14-13)12(18)15-10-7-8(16(19)20)4-5-11(10)17/h2-7,17H,1H3,(H,15,18).
What are the key properties of N-(2-hydroxy-5-nitrophenyl)-2-methoxypyridine-3-carboxamide?
N-(2-hydroxy-5-nitrophenyl)-2-methoxypyridine-3-carboxamide has a molecular weight of 289.25 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-nitrophenyl)-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 103863259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).