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

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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).