5-chloro-N-(5-nitro-2-pyridinyl)-1H-indazole-3-carboxamide

C13H8ClN5O3 — CID 10358473

IUPAC5-chloro-N-(5-nitro-2-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cn1)c1n[nH]c2ccc(Cl)cc12
InChIInChI=1S/C13H8ClN5O3/c14-7-1-3-10-9(5-7)12(18-17-10)13(20)16-11-4-2-8(6-15-11)19(21)22/h1-6H,(H,17,18)(H,15,16,20)
InChIKeyGDRQXYBRYFPZFP-UHFFFAOYSA-N
MW317.69 g/mol
LogP2.77
Rot. Bonds3

About 5-chloro-N-(5-nitro-2-pyridinyl)-1H-indazole-3-carboxamide

5-chloro-N-(5-nitro-2-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 10358473) has the molecular formula C13H8ClN5O3 and a molecular weight of 317.69 g/mol. Its IUPAC name is 5-chloro-N-(5-nitro-2-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(5-nitro-2-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID10358473
Molecular FormulaC13H8ClN5O3
Molecular Weight317.69 g/mol
Exact Mass317.03
IUPAC Name5-chloro-N-(5-nitro-2-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cn1)c1n[nH]c2ccc(Cl)cc12
InChIInChI=1S/C13H8ClN5O3/c14-7-1-3-10-9(5-7)12(18-17-10)13(20)16-11-4-2-8(6-15-11)19(21)22/h1-6H,(H,17,18)(H,15,16,20)
InChIKeyGDRQXYBRYFPZFP-UHFFFAOYSA-N
XLogP2.77
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.69
LogP ≤ 52.77
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

N-(3-chlorophenyl)-5-nitro-1H-indazole-3-carboxamide
CID 35374426
methoxy-[6-[(5-methyl-1H-indazole-3-carbonyl)amino]-3-pyridinyl]-oxoazanium
CID 142999120
N-(5-chloro-2-pyrazol-1-ylphenyl)-5-nitro-1H-indazole-3-carboxamide
CID 55993552
5-chloro-N-(6-chloro-3-pyridinyl)-1H-indazole-3-carboxamide
CID 11449640
6-nitro-4-oxo-N-pyridin-2-yl-1H-cinnoline-3-carboxamide
CID 21241436
4-chloro-1-methyl-N-(5-nitro-2-pyridinyl)pyrazole-3-carboxamide
CID 3590606
3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide
CID 11834512
N-cycloheptyl-5-nitro-1H-indazole-3-carboxamide
CID 35375238
5-chloro-N-(4-methyl-1,2-thiazol-5-yl)-1H-indazole-3-carboxamide
CID 167887757
N-(5-chloro-2-pyridinyl)-2-hydrazinyl-5-nitrobenzamide
CID 62242361
5-nitro-N-(4-propan-2-yloxyphenyl)-1H-indazole-3-carboxamide
CID 60516598
N-(1-hydroxypropan-2-yl)-5-nitro-1H-indazole-3-carboxamide
CID 78856338

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-nitro-2-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-chloro-N-(5-nitro-2-pyridinyl)-1H-indazole-3-carboxamide (CID 10358473) is 5-chloro-N-(5-nitro-2-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(5-nitro-2-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-chloro-N-(5-nitro-2-pyridinyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cn1)c1n[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-N-(5-nitro-2-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is GDRQXYBRYFPZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN5O3/c14-7-1-3-10-9(5-7)12(18-17-10)13(20)16-11-4-2-8(6-15-11)19(21)22/h1-6H,(H,17,18)(H,15,16,20).
What are the key properties of 5-chloro-N-(5-nitro-2-pyridinyl)-1H-indazole-3-carboxamide?
5-chloro-N-(5-nitro-2-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 317.69 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-nitro-2-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 10358473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).