5-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-hydroxybenzoic acid

C15H12BrN3O3 — CID 134148020

IUPAC5-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(CNc2cc(Br)cc3[nH]ncc23)ccc1O
InChIInChI=1S/C15H12BrN3O3/c16-9-4-12(11-7-18-19-13(11)5-9)17-6-8-1-2-14(20)10(3-8)15(21)22/h1-5,7,17,20H,6H2,(H,18,19)(H,21,22)
InChIKeyZPUILILFYNENNR-UHFFFAOYSA-N
MW362.18 g/mol
LogP3.34
Rot. Bonds4

About 5-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-hydroxybenzoic acid

5-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-hydroxybenzoic acid (PubChem CID 134148020) has the molecular formula C15H12BrN3O3 and a molecular weight of 362.18 g/mol. Its IUPAC name is 5-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-hydroxybenzoic acid
PubChem CID134148020
Molecular FormulaC15H12BrN3O3
Molecular Weight362.18 g/mol
Exact Mass361.01
IUPAC Name5-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(CNc2cc(Br)cc3[nH]ncc23)ccc1O
InChIInChI=1S/C15H12BrN3O3/c16-9-4-12(11-7-18-19-13(11)5-9)17-6-8-1-2-14(20)10(3-8)15(21)22/h1-5,7,17,20H,6H2,(H,18,19)(H,21,22)
InChIKeyZPUILILFYNENNR-UHFFFAOYSA-N
XLogP3.34
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.18
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-hydroxybenzoic acid (CID 134148020) is 5-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-hydroxybenzoic acid is O=C(O)c1cc(CNc2cc(Br)cc3[nH]ncc23)ccc1O.
What is the InChIKey of 5-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-hydroxybenzoic acid?
The InChIKey is ZPUILILFYNENNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O3/c16-9-4-12(11-7-18-19-13(11)5-9)17-6-8-1-2-14(20)10(3-8)15(21)22/h1-5,7,17,20H,6H2,(H,18,19)(H,21,22).
What are the key properties of 5-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-hydroxybenzoic acid?
5-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-hydroxybenzoic acid has a molecular weight of 362.18 g/mol, XLogP of 3.34, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 134148020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).