5-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pyridine-3-carboxylic acid

C11H8N4O5 — CID 63153896

IUPAC5-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1
InChIInChI=1S/C11H8N4O5/c16-10(8-1-2-9(14-8)15(19)20)13-7-3-6(11(17)18)4-12-5-7/h1-5,14H,(H,13,16)(H,17,18)
InChIKeyRDRANOBZUSXTFT-UHFFFAOYSA-N
MW276.21 g/mol
LogP1.27
Rot. Bonds4

About 5-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pyridine-3-carboxylic acid

5-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 63153896) has the molecular formula C11H8N4O5 and a molecular weight of 276.21 g/mol. Its IUPAC name is 5-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID63153896
Molecular FormulaC11H8N4O5
Molecular Weight276.21 g/mol
Exact Mass276.05
IUPAC Name5-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1
InChIInChI=1S/C11H8N4O5/c16-10(8-1-2-9(14-8)15(19)20)13-7-3-6(11(17)18)4-12-5-7/h1-5,14H,(H,13,16)(H,17,18)
InChIKeyRDRANOBZUSXTFT-UHFFFAOYSA-N
XLogP1.27
TPSA138.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 51.27
H-Bond Donors ≤ 53
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

4-chloro-3-[(5-nitro-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 29043252
5-(pyridazine-4-carbonylamino)pyridine-3-carboxylic acid
CID 104669628
N-[4-(bromomethyl)phenyl]-5-nitro-1H-pyrrole-2-carboxamide
CID 113274645
4-fluoro-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 28741924
N-[3-(bromomethyl)phenyl]-5-nitro-1H-pyrrole-2-carboxamide
CID 113273956
5-(1H-pyrazole-4-carbonylamino)pyridine-3-carboxylic acid
CID 63154178
N-(5-iodo-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide
CID 65098976
(2R)-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]propanoic acid
CID 28741305
N-(4-amino-3-methoxyphenyl)-5-nitro-1H-pyrrole-2-carboxamide
CID 61241979
N-(5-bromo-1,3-thiazol-2-yl)-5-nitro-1H-pyrrole-2-carboxamide
CID 60785600
2-fluoro-6-[(5-nitro-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 43442867
5-(1,2-oxazole-3-carbonylamino)pyridine-3-carboxylic acid
CID 63154305

Frequently Asked Questions

What is the IUPAC name of 5-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pyridine-3-carboxylic acid (CID 63153896) is 5-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pyridine-3-carboxylic acid is O=C(O)c1cncc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1.
What is the InChIKey of 5-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is RDRANOBZUSXTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O5/c16-10(8-1-2-9(14-8)15(19)20)13-7-3-6(11(17)18)4-12-5-7/h1-5,14H,(H,13,16)(H,17,18).
What are the key properties of 5-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pyridine-3-carboxylic acid?
5-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pyridine-3-carboxylic acid has a molecular weight of 276.21 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63153896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).