5-bromo-1-phenylindazole-3-carboxylic acid

C14H9BrN2O2 — CID 139220428

IUPAC5-bromo-1-phenylindazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccccc2)c2ccc(Br)cc12
InChIInChI=1S/C14H9BrN2O2/c15-9-6-7-12-11(8-9)13(14(18)19)16-17(12)10-4-2-1-3-5-10/h1-8H,(H,18,19)
InChIKeyCTOPIKBWFOLVJT-UHFFFAOYSA-N
MW317.14 g/mol
LogP3.49
Rot. Bonds2

About 5-bromo-1-phenylindazole-3-carboxylic acid

5-bromo-1-phenylindazole-3-carboxylic acid (PubChem CID 139220428) has the molecular formula C14H9BrN2O2 and a molecular weight of 317.14 g/mol. Its IUPAC name is 5-bromo-1-phenylindazole-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-1-phenylindazole-3-carboxylic acid
PubChem CID139220428
Molecular FormulaC14H9BrN2O2
Molecular Weight317.14 g/mol
Exact Mass315.98
IUPAC Name5-bromo-1-phenylindazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccccc2)c2ccc(Br)cc12
InChIInChI=1S/C14H9BrN2O2/c15-9-6-7-12-11(8-9)13(14(18)19)16-17(12)10-4-2-1-3-5-10/h1-8H,(H,18,19)
InChIKeyCTOPIKBWFOLVJT-UHFFFAOYSA-N
XLogP3.49
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 67230358
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6-bromo-1-phenyl-N-piperidin-1-ylindazole-3-carboxamide
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5-bromo-1-(2,2,2-trifluoroethyl)indazole-3-carboxylic acid
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1-[4-(1-hydroxyethyl)phenyl]indazole-3-carboxylic acid
CID 56717092
6-bromo-3-methyl-1-phenylindazole
CID 67449853
methyl 1-benzoyl-5-bromoindazole-3-carboxylate
CID 71819101
2-(3-bromophenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
CID 75481580
1-(5-bromo-1-methylindazol-3-yl)ethanone
CID 82623224
1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxylic acid
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N-benzyl-4-oxo-1-phenylcinnoline-3-carboxamide
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8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indole-1-carboxylic acid
CID 57216606

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-phenylindazole-3-carboxylic acid?
The IUPAC name of 5-bromo-1-phenylindazole-3-carboxylic acid (CID 139220428) is 5-bromo-1-phenylindazole-3-carboxylic acid.
What is the SMILES notation for 5-bromo-1-phenylindazole-3-carboxylic acid?
The canonical SMILES for 5-bromo-1-phenylindazole-3-carboxylic acid is O=C(O)c1nn(-c2ccccc2)c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-1-phenylindazole-3-carboxylic acid?
The InChIKey is CTOPIKBWFOLVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O2/c15-9-6-7-12-11(8-9)13(14(18)19)16-17(12)10-4-2-1-3-5-10/h1-8H,(H,18,19).
What are the key properties of 5-bromo-1-phenylindazole-3-carboxylic acid?
5-bromo-1-phenylindazole-3-carboxylic acid has a molecular weight of 317.14 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-phenylindazole-3-carboxylic acid is sourced from PubChem (CID 139220428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).