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

C13H11N3O4 — CID 103894425

IUPACN-(2-hydroxy-5-nitrophenyl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C13H11N3O4/c1-8-3-2-6-14-12(8)13(18)15-10-7-9(16(19)20)4-5-11(10)17/h2-7,17H,1H3,(H,15,18)
InChIKeyWLVJHZBWJXEGSQ-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.26
Rot. Bonds3

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

N-(2-hydroxy-5-nitrophenyl)-3-methylpyridine-2-carboxamide (PubChem CID 103894425) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is N-(2-hydroxy-5-nitrophenyl)-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-nitrophenyl)-3-methylpyridine-2-carboxamide
PubChem CID103894425
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC NameN-(2-hydroxy-5-nitrophenyl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C13H11N3O4/c1-8-3-2-6-14-12(8)13(18)15-10-7-9(16(19)20)4-5-11(10)17/h2-7,17H,1H3,(H,15,18)
InChIKeyWLVJHZBWJXEGSQ-UHFFFAOYSA-N
XLogP2.26
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
3-amino-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide
CID 104741301
N-(2-hydroxy-5-nitrophenyl)-2-methoxypyridine-3-carboxamide
CID 103863259
N-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide
CID 103863236
N-(2-hydroxy-5-nitrophenyl)-2-iodo-3-methylbenzamide
CID 103894392
3-bromo-N-(2-bromo-5-nitrophenyl)pyridine-2-carboxamide
CID 107519192
4-bromo-N-(2-hydroxy-5-nitrophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19266379
5-bromo-N-(2-hydroxy-5-nitrophenyl)-4-methylthiophene-2-carboxamide
CID 103894360
N-(2-hydroxy-5-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414727
N-(2-hydroxy-5-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 103894307
4-chloro-N-(2-hydroxy-5-nitrophenyl)-5-nitro-1H-pyrazole-3-carboxamide
CID 135803794
2-[(3-methylpyridine-2-carbonyl)amino]-4-phenylbenzoic acid
CID 67343058

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-nitrophenyl)-3-methylpyridine-2-carboxamide?
The IUPAC name of N-(2-hydroxy-5-nitrophenyl)-3-methylpyridine-2-carboxamide (CID 103894425) is N-(2-hydroxy-5-nitrophenyl)-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-nitrophenyl)-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-nitrophenyl)-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)Nc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of N-(2-hydroxy-5-nitrophenyl)-3-methylpyridine-2-carboxamide?
The InChIKey is WLVJHZBWJXEGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-8-3-2-6-14-12(8)13(18)15-10-7-9(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)-3-methylpyridine-2-carboxamide?
N-(2-hydroxy-5-nitrophenyl)-3-methylpyridine-2-carboxamide has a molecular weight of 273.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-nitrophenyl)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 103894425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).