4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-methylphenol

C15H14BrN3O — CID 146669491

IUPAC4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-methylphenol
SMILESCc1cc(O)ccc1CNc1cc(Br)cc2[nH]ncc12
InChIInChI=1S/C15H14BrN3O/c1-9-4-12(20)3-2-10(9)7-17-14-5-11(16)6-15-13(14)8-18-19-15/h2-6,8,17,20H,7H2,1H3,(H,18,19)
InChIKeyODWLTGLTLSKGOB-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.95
Rot. Bonds3

About 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-methylphenol

4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-methylphenol (PubChem CID 146669491) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-methylphenol.

Molecular Properties

Compound Name4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-methylphenol
PubChem CID146669491
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-methylphenol
SMILESCc1cc(O)ccc1CNc1cc(Br)cc2[nH]ncc12
InChIInChI=1S/C15H14BrN3O/c1-9-4-12(20)3-2-10(9)7-17-14-5-11(16)6-15-13(14)8-18-19-15/h2-6,8,17,20H,7H2,1H3,(H,18,19)
InChIKeyODWLTGLTLSKGOB-UHFFFAOYSA-N
XLogP3.95
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-methylphenol?
The IUPAC name of 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-methylphenol (CID 146669491) is 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-methylphenol.
What is the SMILES notation for 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-methylphenol?
The canonical SMILES for 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-methylphenol is Cc1cc(O)ccc1CNc1cc(Br)cc2[nH]ncc12.
What is the InChIKey of 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-methylphenol?
The InChIKey is ODWLTGLTLSKGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-9-4-12(20)3-2-10(9)7-17-14-5-11(16)6-15-13(14)8-18-19-15/h2-6,8,17,20H,7H2,1H3,(H,18,19).
What are the key properties of 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-methylphenol?
4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-methylphenol has a molecular weight of 332.20 g/mol, XLogP of 3.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-methylphenol is sourced from PubChem (CID 146669491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).