2-nitro-5-[[(E)-pent-3-enyl]amino]pyridine-4-carboxylic acid

C11H13N3O4 — CID 114194514

IUPAC2-nitro-5-[[(E)-pent-3-enyl]amino]pyridine-4-carboxylic acid
SMILESC/C=C/CCNc1cnc([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C11H13N3O4/c1-2-3-4-5-12-9-7-13-10(14(17)18)6-8(9)11(15)16/h2-3,6-7,12H,4-5H2,1H3,(H,15,16)/b3-2+
InChIKeyXLZKRLYZNKDTCC-NSCUHMNNSA-N
MW251.24 g/mol
LogP2.07
Rot. Bonds6

About 2-nitro-5-[[(E)-pent-3-enyl]amino]pyridine-4-carboxylic acid

2-nitro-5-[[(E)-pent-3-enyl]amino]pyridine-4-carboxylic acid (PubChem CID 114194514) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-nitro-5-[[(E)-pent-3-enyl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-nitro-5-[[(E)-pent-3-enyl]amino]pyridine-4-carboxylic acid
PubChem CID114194514
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-nitro-5-[[(E)-pent-3-enyl]amino]pyridine-4-carboxylic acid
SMILESC/C=C/CCNc1cnc([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C11H13N3O4/c1-2-3-4-5-12-9-7-13-10(14(17)18)6-8(9)11(15)16/h2-3,6-7,12H,4-5H2,1H3,(H,15,16)/b3-2+
InChIKeyXLZKRLYZNKDTCC-NSCUHMNNSA-N
XLogP2.07
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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

2-nitro-5-(3,3,3-trifluoropropylamino)pyridine-4-carboxylic acid
CID 114194485
5-(3-methylsulfinylpropylamino)-2-nitropyridine-4-carboxylic acid
CID 114194524
2-nitro-5-(2-sulfamoylethylamino)pyridine-4-carboxylic acid
CID 114194432
5-[(2,2-dimethylcyclopropyl)methylamino]-2-nitropyridine-4-carboxylic acid
CID 114194554
5-[(2-methoxy-2-methylpropyl)amino]-2-nitropyridine-4-carboxylic acid
CID 114194513
5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-nitropyridine-4-carboxylic acid
CID 114194558
6-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine
CID 115633982
N-ethyl-2-nitro-5-(propylamino)pyridine-4-carboxamide
CID 114195863
5-amino-2-nitropyridine-4-carboxylic acid
CID 127018665
3-chloro-5-nitro-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 103679882
2-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine
CID 115628495
2-(ethylamino)-5-nitropyridine-3-carboxylic acid
CID 82470807

Frequently Asked Questions

What is the IUPAC name of 2-nitro-5-[[(E)-pent-3-enyl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-nitro-5-[[(E)-pent-3-enyl]amino]pyridine-4-carboxylic acid (CID 114194514) is 2-nitro-5-[[(E)-pent-3-enyl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-nitro-5-[[(E)-pent-3-enyl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-nitro-5-[[(E)-pent-3-enyl]amino]pyridine-4-carboxylic acid is C/C=C/CCNc1cnc([N+](=O)[O-])cc1C(=O)O.
What is the InChIKey of 2-nitro-5-[[(E)-pent-3-enyl]amino]pyridine-4-carboxylic acid?
The InChIKey is XLZKRLYZNKDTCC-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-2-3-4-5-12-9-7-13-10(14(17)18)6-8(9)11(15)16/h2-3,6-7,12H,4-5H2,1H3,(H,15,16)/b3-2+.
What are the key properties of 2-nitro-5-[[(E)-pent-3-enyl]amino]pyridine-4-carboxylic acid?
2-nitro-5-[[(E)-pent-3-enyl]amino]pyridine-4-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-5-[[(E)-pent-3-enyl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114194514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).