2-(ethylamino)-5-nitropyridine-3-carboxylic acid

C8H9N3O4 — CID 82470807

IUPAC2-(ethylamino)-5-nitropyridine-3-carboxylic acid
SMILESCCNc1ncc([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C8H9N3O4/c1-2-9-7-6(8(12)13)3-5(4-10-7)11(14)15/h3-4H,2H2,1H3,(H,9,10)(H,12,13)
InChIKeyAUOWESDQRZFNIV-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.12
Rot. Bonds4

About 2-(ethylamino)-5-nitropyridine-3-carboxylic acid

2-(ethylamino)-5-nitropyridine-3-carboxylic acid (PubChem CID 82470807) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2-(ethylamino)-5-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(ethylamino)-5-nitropyridine-3-carboxylic acid
PubChem CID82470807
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Name2-(ethylamino)-5-nitropyridine-3-carboxylic acid
SMILESCCNc1ncc([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C8H9N3O4/c1-2-9-7-6(8(12)13)3-5(4-10-7)11(14)15/h3-4H,2H2,1H3,(H,9,10)(H,12,13)
InChIKeyAUOWESDQRZFNIV-UHFFFAOYSA-N
XLogP1.12
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.12
H-Bond Donors ≤ 52
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

2-[2-(dimethylamino)ethylamino]-5-nitropyridine-3-carboxylic acid
CID 98016555
2-[(2,2-difluoro-3-hydroxypropyl)amino]-5-nitropyridine-3-carboxylic acid
CID 114154314
2-(3,3-dimethylbutan-2-ylamino)-5-nitropyridine-3-carboxylic acid
CID 114046842
2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carboxylic acid
CID 114046856
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-nitropyridine-3-carboxylic acid
CID 106190136
2-(1-cyclopropylethylamino)-5-nitropyridine-3-carboxylic acid
CID 114046682
2-[[1-(hydroxymethyl)cyclobutyl]amino]-5-nitropyridine-3-carboxylic acid
CID 114046863
2-[[(3-carbamoyl-5-nitro-2-pyridinyl)amino]methyl]butanoic acid
CID 65226388
2-chloro-5-nitropyridine-3-carboxylic acid;ethane
CID 142859548
2-[(3-carbamoyl-5-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 79799261
5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 55100789
4-(ethylamino)-5-nitrophthalic acid
CID 4244645

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-nitropyridine-3-carboxylic acid?
The IUPAC name of 2-(ethylamino)-5-nitropyridine-3-carboxylic acid (CID 82470807) is 2-(ethylamino)-5-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 2-(ethylamino)-5-nitropyridine-3-carboxylic acid?
The canonical SMILES for 2-(ethylamino)-5-nitropyridine-3-carboxylic acid is CCNc1ncc([N+](=O)[O-])cc1C(=O)O.
What is the InChIKey of 2-(ethylamino)-5-nitropyridine-3-carboxylic acid?
The InChIKey is AUOWESDQRZFNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c1-2-9-7-6(8(12)13)3-5(4-10-7)11(14)15/h3-4H,2H2,1H3,(H,9,10)(H,12,13).
What are the key properties of 2-(ethylamino)-5-nitropyridine-3-carboxylic acid?
2-(ethylamino)-5-nitropyridine-3-carboxylic acid has a molecular weight of 211.18 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 82470807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).