5-bromo-1-(4-methyl-2-pyridinyl)indazole-3-carboxylic acid

C14H10BrN3O2 — CID 123645258

IUPAC5-bromo-1-(4-methyl-2-pyridinyl)indazole-3-carboxylic acid
SMILESCc1ccnc(-n2nc(C(=O)O)c3cc(Br)ccc32)c1
InChIInChI=1S/C14H10BrN3O2/c1-8-4-5-16-12(6-8)18-11-3-2-9(15)7-10(11)13(17-18)14(19)20/h2-7H,1H3,(H,19,20)
InChIKeyFVJOSNQNXSOFGE-UHFFFAOYSA-N
MW332.16 g/mol
LogP3.19
Rot. Bonds2

About 5-bromo-1-(4-methyl-2-pyridinyl)indazole-3-carboxylic acid

5-bromo-1-(4-methyl-2-pyridinyl)indazole-3-carboxylic acid (PubChem CID 123645258) has the molecular formula C14H10BrN3O2 and a molecular weight of 332.16 g/mol. Its IUPAC name is 5-bromo-1-(4-methyl-2-pyridinyl)indazole-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-1-(4-methyl-2-pyridinyl)indazole-3-carboxylic acid
PubChem CID123645258
Molecular FormulaC14H10BrN3O2
Molecular Weight332.16 g/mol
Exact Mass331.00
IUPAC Name5-bromo-1-(4-methyl-2-pyridinyl)indazole-3-carboxylic acid
SMILESCc1ccnc(-n2nc(C(=O)O)c3cc(Br)ccc32)c1
InChIInChI=1S/C14H10BrN3O2/c1-8-4-5-16-12(6-8)18-11-3-2-9(15)7-10(11)13(17-18)14(19)20/h2-7H,1H3,(H,19,20)
InChIKeyFVJOSNQNXSOFGE-UHFFFAOYSA-N
XLogP3.19
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-1-(4-methyl-2-pyridinyl)indazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-1-phenylindazole-3-carboxylic acid
CID 139220428
5-bromo-1-methylindazole-3-carboxylic acid
CID 67230358
5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide;methane
CID 144793484
5-bromo-1-[4-(4-hydroxy-1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]indazole-3-carboxamide
CID 123659210
5-bromo-1-(2,2,2-trifluoroethyl)indazole-3-carboxylic acid
CID 67230679
8-methyl-5-(4-methyl-2-pyridinyl)-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-diene-3-carboxylic acid
CID 123993404
1-(5-bromo-1-methylindazol-3-yl)ethanone
CID 82623224
2-[5-methyl-2-(4-methyl-2-pyridinyl)pyrazol-3-yl]sulfanylacetic acid
CID 62408189
4-bromo-1-(2,5-dimethylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 55038033
5-(5-methylfuran-2-yl)-1-(4-methyl-2-pyridinyl)pyrazole-3-carboxylic acid
CID 62848447
5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylic acid
CID 140967702
methyl 5-bromo-1-ethylindazole-3-carboxylate
CID 170559421

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-methyl-2-pyridinyl)indazole-3-carboxylic acid?
The IUPAC name of 5-bromo-1-(4-methyl-2-pyridinyl)indazole-3-carboxylic acid (CID 123645258) is 5-bromo-1-(4-methyl-2-pyridinyl)indazole-3-carboxylic acid.
What is the SMILES notation for 5-bromo-1-(4-methyl-2-pyridinyl)indazole-3-carboxylic acid?
The canonical SMILES for 5-bromo-1-(4-methyl-2-pyridinyl)indazole-3-carboxylic acid is Cc1ccnc(-n2nc(C(=O)O)c3cc(Br)ccc32)c1.
What is the InChIKey of 5-bromo-1-(4-methyl-2-pyridinyl)indazole-3-carboxylic acid?
The InChIKey is FVJOSNQNXSOFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2/c1-8-4-5-16-12(6-8)18-11-3-2-9(15)7-10(11)13(17-18)14(19)20/h2-7H,1H3,(H,19,20).
What are the key properties of 5-bromo-1-(4-methyl-2-pyridinyl)indazole-3-carboxylic acid?
5-bromo-1-(4-methyl-2-pyridinyl)indazole-3-carboxylic acid has a molecular weight of 332.16 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-methyl-2-pyridinyl)indazole-3-carboxylic acid is sourced from PubChem (CID 123645258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).