3-[(4-bromophenyl)carbamoyl]indazole-1-carboxylic acid

C15H10BrN3O3 — CID 90286273

IUPAC3-[(4-bromophenyl)carbamoyl]indazole-1-carboxylic acid
SMILESO=C(Nc1ccc(Br)cc1)c1nn(C(=O)O)c2ccccc12
InChIInChI=1S/C15H10BrN3O3/c16-9-5-7-10(8-6-9)17-14(20)13-11-3-1-2-4-12(11)19(18-13)15(21)22/h1-8H,(H,17,20)(H,21,22)
InChIKeyOMJLCFXGJINGKO-UHFFFAOYSA-N
MW360.17 g/mol
LogP3.58
Rot. Bonds2

About 3-[(4-bromophenyl)carbamoyl]indazole-1-carboxylic acid

3-[(4-bromophenyl)carbamoyl]indazole-1-carboxylic acid (PubChem CID 90286273) has the molecular formula C15H10BrN3O3 and a molecular weight of 360.17 g/mol. Its IUPAC name is 3-[(4-bromophenyl)carbamoyl]indazole-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-bromophenyl)carbamoyl]indazole-1-carboxylic acid
PubChem CID90286273
Molecular FormulaC15H10BrN3O3
Molecular Weight360.17 g/mol
Exact Mass358.99
IUPAC Name3-[(4-bromophenyl)carbamoyl]indazole-1-carboxylic acid
SMILESO=C(Nc1ccc(Br)cc1)c1nn(C(=O)O)c2ccccc12
InChIInChI=1S/C15H10BrN3O3/c16-9-5-7-10(8-6-9)17-14(20)13-11-3-1-2-4-12(11)19(18-13)15(21)22/h1-8H,(H,17,20)(H,21,22)
InChIKeyOMJLCFXGJINGKO-UHFFFAOYSA-N
XLogP3.58
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)carbamoyl]indazole-1-carboxylic acid?
The IUPAC name of 3-[(4-bromophenyl)carbamoyl]indazole-1-carboxylic acid (CID 90286273) is 3-[(4-bromophenyl)carbamoyl]indazole-1-carboxylic acid.
What is the SMILES notation for 3-[(4-bromophenyl)carbamoyl]indazole-1-carboxylic acid?
The canonical SMILES for 3-[(4-bromophenyl)carbamoyl]indazole-1-carboxylic acid is O=C(Nc1ccc(Br)cc1)c1nn(C(=O)O)c2ccccc12.
What is the InChIKey of 3-[(4-bromophenyl)carbamoyl]indazole-1-carboxylic acid?
The InChIKey is OMJLCFXGJINGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O3/c16-9-5-7-10(8-6-9)17-14(20)13-11-3-1-2-4-12(11)19(18-13)15(21)22/h1-8H,(H,17,20)(H,21,22).
What are the key properties of 3-[(4-bromophenyl)carbamoyl]indazole-1-carboxylic acid?
3-[(4-bromophenyl)carbamoyl]indazole-1-carboxylic acid has a molecular weight of 360.17 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)carbamoyl]indazole-1-carboxylic acid is sourced from PubChem (CID 90286273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).