6-methoxy-5-nitropyridine-2-carboxamide

C7H7N3O4 — CID 55252610

IUPAC6-methoxy-5-nitropyridine-2-carboxamide
SMILESCOc1nc(C(N)=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O4/c1-14-7-5(10(12)13)3-2-4(9-7)6(8)11/h2-3H,1H3,(H2,8,11)
InChIKeyITYHHDMRCSTNFX-UHFFFAOYSA-N
MW197.15 g/mol
LogP0.10
Rot. Bonds3

About 6-methoxy-5-nitropyridine-2-carboxamide

6-methoxy-5-nitropyridine-2-carboxamide (PubChem CID 55252610) has the molecular formula C7H7N3O4 and a molecular weight of 197.15 g/mol. Its IUPAC name is 6-methoxy-5-nitropyridine-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-5-nitropyridine-2-carboxamide
PubChem CID55252610
Molecular FormulaC7H7N3O4
Molecular Weight197.15 g/mol
Exact Mass197.04
IUPAC Name6-methoxy-5-nitropyridine-2-carboxamide
SMILESCOc1nc(C(N)=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O4/c1-14-7-5(10(12)13)3-2-4(9-7)6(8)11/h2-3H,1H3,(H2,8,11)
InChIKeyITYHHDMRCSTNFX-UHFFFAOYSA-N
XLogP0.10
TPSA108.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-ethoxy-5-nitropyridine-2-carboxylic acid
CID 114403118
[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]-(6-methoxy-5-nitro-2-pyridinyl)methanone
CID 155386934
methyl 6-(2-hydroxyethoxy)-5-nitropyridine-2-carboxylate
CID 114403191
N'-(6-methoxy-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 69485063
2-[[6-methoxycarbonyl-3-[(6-methoxy-5-nitropyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid
CID 135131665
methyl 6-(3-methoxypropoxy)-5-nitropyridine-2-carboxylate
CID 114403240
methyl 6-(2-iodophenoxy)-5-nitropyridine-2-carboxylate
CID 114403235
methyl 5-nitro-6-(oxan-4-ylmethoxy)pyridine-2-carboxylate
CID 114403273
methyl 6-(2-carbamoylpyrrolidin-1-yl)-5-nitropyridine-2-carboxylate
CID 114403552
6-(3-methylbutoxy)-5-nitropyridine-2-carboxylic acid
CID 114403164
6-heptoxy-5-nitropyridine-2-carboxylic acid
CID 114403198
2-methoxy-6-(3-methoxyprop-1-ynyl)-3-nitropyridine
CID 130268947

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-nitropyridine-2-carboxamide?
The IUPAC name of 6-methoxy-5-nitropyridine-2-carboxamide (CID 55252610) is 6-methoxy-5-nitropyridine-2-carboxamide.
What is the SMILES notation for 6-methoxy-5-nitropyridine-2-carboxamide?
The canonical SMILES for 6-methoxy-5-nitropyridine-2-carboxamide is COc1nc(C(N)=O)ccc1[N+](=O)[O-].
What is the InChIKey of 6-methoxy-5-nitropyridine-2-carboxamide?
The InChIKey is ITYHHDMRCSTNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O4/c1-14-7-5(10(12)13)3-2-4(9-7)6(8)11/h2-3H,1H3,(H2,8,11).
What are the key properties of 6-methoxy-5-nitropyridine-2-carboxamide?
6-methoxy-5-nitropyridine-2-carboxamide has a molecular weight of 197.15 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-nitropyridine-2-carboxamide is sourced from PubChem (CID 55252610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).