4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-methylphenol

C15H14BrN3O — CID 146669488

IUPAC4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-methylphenol
SMILESCc1cc(CNc2cc(Br)cc3[nH]ncc23)ccc1O
InChIInChI=1S/C15H14BrN3O/c1-9-4-10(2-3-15(9)20)7-17-13-5-11(16)6-14-12(13)8-18-19-14/h2-6,8,17,20H,7H2,1H3,(H,18,19)
InChIKeyIZMPZMIOIWUIIC-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.95
Rot. Bonds3

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

4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-methylphenol (PubChem CID 146669488) 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]-2-methylphenol.

Molecular Properties

Compound Name4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-methylphenol
PubChem CID146669488
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-methylphenol
SMILESCc1cc(CNc2cc(Br)cc3[nH]ncc23)ccc1O
InChIInChI=1S/C15H14BrN3O/c1-9-4-10(2-3-15(9)20)7-17-13-5-11(16)6-14-12(13)8-18-19-14/h2-6,8,17,20H,7H2,1H3,(H,18,19)
InChIKeyIZMPZMIOIWUIIC-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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Related Compounds

4-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]phenol
CID 132528948
3-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-4-nitrophenol
CID 168275708
4-[[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]methyl]phenol
CID 168295313
3-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenol
CID 130335524
[4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]methanol
CID 130335530
2-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenol
CID 134148837
4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-fluorophenol
CID 146669487
4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-methylphenol
CID 146669491
4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-chlorophenol
CID 146669493
4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-fluorophenol
CID 146669496
4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]benzene-1,3-diol
CID 146669499
2-amino-4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenol
CID 146669502

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-methylphenol?
The IUPAC name of 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-methylphenol (CID 146669488) is 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-methylphenol.
What is the SMILES notation for 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-methylphenol?
The canonical SMILES for 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-methylphenol is Cc1cc(CNc2cc(Br)cc3[nH]ncc23)ccc1O.
What is the InChIKey of 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-methylphenol?
The InChIKey is IZMPZMIOIWUIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-9-4-10(2-3-15(9)20)7-17-13-5-11(16)6-14-12(13)8-18-19-14/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]-2-methylphenol?
4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-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]-2-methylphenol is sourced from PubChem (CID 146669488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).