2-(4-bromophenyl)-5-fluoroindazole-7-carboxamide

C14H9BrFN3O — CID 57425159

IUPAC2-(4-bromophenyl)-5-fluoroindazole-7-carboxamide
SMILESNC(=O)c1cc(F)cc2cn(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C14H9BrFN3O/c15-9-1-3-11(4-2-9)19-7-8-5-10(16)6-12(14(17)20)13(8)18-19/h1-7H,(H2,17,20)
InChIKeyKFTKZRCKPBTYRG-UHFFFAOYSA-N
MW334.15 g/mol
LogP3.03
Rot. Bonds2

About 2-(4-bromophenyl)-5-fluoroindazole-7-carboxamide

2-(4-bromophenyl)-5-fluoroindazole-7-carboxamide (PubChem CID 57425159) has the molecular formula C14H9BrFN3O and a molecular weight of 334.15 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-fluoroindazole-7-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-fluoroindazole-7-carboxamide
PubChem CID57425159
Molecular FormulaC14H9BrFN3O
Molecular Weight334.15 g/mol
Exact Mass332.99
IUPAC Name2-(4-bromophenyl)-5-fluoroindazole-7-carboxamide
SMILESNC(=O)c1cc(F)cc2cn(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C14H9BrFN3O/c15-9-1-3-11(4-2-9)19-7-8-5-10(16)6-12(14(17)20)13(8)18-19/h1-7H,(H2,17,20)
InChIKeyKFTKZRCKPBTYRG-UHFFFAOYSA-N
XLogP3.03
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-fluoroindazole-7-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-5-fluoroindazole-7-carboxamide (CID 57425159) is 2-(4-bromophenyl)-5-fluoroindazole-7-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-5-fluoroindazole-7-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-5-fluoroindazole-7-carboxamide is NC(=O)c1cc(F)cc2cn(-c3ccc(Br)cc3)nc12.
What is the InChIKey of 2-(4-bromophenyl)-5-fluoroindazole-7-carboxamide?
The InChIKey is KFTKZRCKPBTYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O/c15-9-1-3-11(4-2-9)19-7-8-5-10(16)6-12(14(17)20)13(8)18-19/h1-7H,(H2,17,20).
What are the key properties of 2-(4-bromophenyl)-5-fluoroindazole-7-carboxamide?
2-(4-bromophenyl)-5-fluoroindazole-7-carboxamide has a molecular weight of 334.15 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-fluoroindazole-7-carboxamide is sourced from PubChem (CID 57425159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).