5-chloro-N-(4-fluoro-3-nitrophenyl)indazole-1-carboxamide

C14H8ClFN4O3 — CID 4102122

IUPAC5-chloro-N-(4-fluoro-3-nitrophenyl)indazole-1-carboxamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)n1ncc2cc(Cl)ccc21
InChIInChI=1S/C14H8ClFN4O3/c15-9-1-4-12-8(5-9)7-17-19(12)14(21)18-10-2-3-11(16)13(6-10)20(22)23/h1-7H,(H,18,21)
InChIKeySPVFLOQLDMTUSO-UHFFFAOYSA-N
MW334.69 g/mol
LogP3.82
Rot. Bonds2

About 5-chloro-N-(4-fluoro-3-nitrophenyl)indazole-1-carboxamide

5-chloro-N-(4-fluoro-3-nitrophenyl)indazole-1-carboxamide (PubChem CID 4102122) has the molecular formula C14H8ClFN4O3 and a molecular weight of 334.69 g/mol. Its IUPAC name is 5-chloro-N-(4-fluoro-3-nitrophenyl)indazole-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-fluoro-3-nitrophenyl)indazole-1-carboxamide
PubChem CID4102122
Molecular FormulaC14H8ClFN4O3
Molecular Weight334.69 g/mol
Exact Mass334.03
IUPAC Name5-chloro-N-(4-fluoro-3-nitrophenyl)indazole-1-carboxamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)n1ncc2cc(Cl)ccc21
InChIInChI=1S/C14H8ClFN4O3/c15-9-1-4-12-8(5-9)7-17-19(12)14(21)18-10-2-3-11(16)13(6-10)20(22)23/h1-7H,(H,18,21)
InChIKeySPVFLOQLDMTUSO-UHFFFAOYSA-N
XLogP3.82
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.69
LogP ≤ 53.82
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-fluoro-3-nitrophenyl)indazole-1-carboxamide?
The IUPAC name of 5-chloro-N-(4-fluoro-3-nitrophenyl)indazole-1-carboxamide (CID 4102122) is 5-chloro-N-(4-fluoro-3-nitrophenyl)indazole-1-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-fluoro-3-nitrophenyl)indazole-1-carboxamide?
The canonical SMILES for 5-chloro-N-(4-fluoro-3-nitrophenyl)indazole-1-carboxamide is O=C(Nc1ccc(F)c([N+](=O)[O-])c1)n1ncc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-N-(4-fluoro-3-nitrophenyl)indazole-1-carboxamide?
The InChIKey is SPVFLOQLDMTUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN4O3/c15-9-1-4-12-8(5-9)7-17-19(12)14(21)18-10-2-3-11(16)13(6-10)20(22)23/h1-7H,(H,18,21).
What are the key properties of 5-chloro-N-(4-fluoro-3-nitrophenyl)indazole-1-carboxamide?
5-chloro-N-(4-fluoro-3-nitrophenyl)indazole-1-carboxamide has a molecular weight of 334.69 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-fluoro-3-nitrophenyl)indazole-1-carboxamide is sourced from PubChem (CID 4102122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).