4-(6-nitroindazol-1-yl)pyridine-2-carboxylic acid

C13H8N4O4 — CID 43142906

IUPAC4-(6-nitroindazol-1-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-n2ncc3ccc([N+](=O)[O-])cc32)ccn1
InChIInChI=1S/C13H8N4O4/c18-13(19)11-5-9(3-4-14-11)16-12-6-10(17(20)21)2-1-8(12)7-15-16/h1-7H,(H,18,19)
InChIKeyCXJQSLXLDKQXFO-UHFFFAOYSA-N
MW284.23 g/mol
LogP2.03
Rot. Bonds3

About 4-(6-nitroindazol-1-yl)pyridine-2-carboxylic acid

4-(6-nitroindazol-1-yl)pyridine-2-carboxylic acid (PubChem CID 43142906) has the molecular formula C13H8N4O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 4-(6-nitroindazol-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(6-nitroindazol-1-yl)pyridine-2-carboxylic acid
PubChem CID43142906
Molecular FormulaC13H8N4O4
Molecular Weight284.23 g/mol
Exact Mass284.05
IUPAC Name4-(6-nitroindazol-1-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-n2ncc3ccc([N+](=O)[O-])cc32)ccn1
InChIInChI=1S/C13H8N4O4/c18-13(19)11-5-9(3-4-14-11)16-12-6-10(17(20)21)2-1-8(12)7-15-16/h1-7H,(H,18,19)
InChIKeyCXJQSLXLDKQXFO-UHFFFAOYSA-N
XLogP2.03
TPSA111.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(6-nitroindazol-1-yl)pyrimidine-4-carboxylic acid
CID 107554576
1-(3-bromo-2-pyridinyl)-6-nitroindazole
CID 61374684
5-[(6-nitroindazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397374
4-[(6-nitroindazol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664469
methane;methyl 6-nitroindazole-1-carboxylate
CID 174489049
1-(4-fluoro-2-nitrophenyl)-6-nitroindazole
CID 9029813
4-(3-nitro-1,2,4-triazol-1-yl)pyridine-2-carboxylic acid
CID 54930232
1-(5-chloropentyl)-6-nitroindazole
CID 43348333
4-(6-nitroindazol-1-yl)pentanoic acid
CID 62215418
1-[(4-chloro-2-pyridinyl)methyl]-6-nitroindazole
CID 79246153
trans-(1R,2R)-2-(6-nitroindazol-1-yl)cyclohexan-1-ol
CID 102732364
7-nitroimidazo[1,2-a]quinoline-2-carboxylic acid
CID 14067489

Frequently Asked Questions

What is the IUPAC name of 4-(6-nitroindazol-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(6-nitroindazol-1-yl)pyridine-2-carboxylic acid (CID 43142906) is 4-(6-nitroindazol-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(6-nitroindazol-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(6-nitroindazol-1-yl)pyridine-2-carboxylic acid is O=C(O)c1cc(-n2ncc3ccc([N+](=O)[O-])cc32)ccn1.
What is the InChIKey of 4-(6-nitroindazol-1-yl)pyridine-2-carboxylic acid?
The InChIKey is CXJQSLXLDKQXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O4/c18-13(19)11-5-9(3-4-14-11)16-12-6-10(17(20)21)2-1-8(12)7-15-16/h1-7H,(H,18,19).
What are the key properties of 4-(6-nitroindazol-1-yl)pyridine-2-carboxylic acid?
4-(6-nitroindazol-1-yl)pyridine-2-carboxylic acid has a molecular weight of 284.23 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-nitroindazol-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 43142906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).