[4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]methanol

C15H14BrN3O — CID 130335530

IUPAC[4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]methanol
SMILESOCc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1
InChIInChI=1S/C15H14BrN3O/c16-12-5-14(13-8-18-19-15(13)6-12)17-7-10-1-3-11(9-20)4-2-10/h1-6,8,17,20H,7,9H2,(H,18,19)
InChIKeyMJBOYDKIACQZOZ-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.43
Rot. Bonds4

About [4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]methanol

[4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]methanol (PubChem CID 130335530) 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]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]methanol
PubChem CID130335530
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name[4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]methanol
SMILESOCc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1
InChIInChI=1S/C15H14BrN3O/c16-12-5-14(13-8-18-19-15(13)6-12)17-7-10-1-3-11(9-20)4-2-10/h1-6,8,17,20H,7,9H2,(H,18,19)
InChIKeyMJBOYDKIACQZOZ-UHFFFAOYSA-N
XLogP3.43
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]methanol with MolForge

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Related Compounds

4-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]phenol
CID 132528948
(1~{S},2~{R})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol
CID 156009086
cis-(1R,2S)-2-[[(6-bromo-1H-indazol-4-yl)amino]methyl]cyclohexan-1-ol
CID 156022739
(1~{R},2~{S})-2-[[(5-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol
CID 156009088
1-(6-bromo-1H-indazol-4-yl)-2-phenylethanol
CID 155549119
2-[[(6-bromo-1H-indazol-4-yl)amino]methyl]cyclohexan-1-ol
CID 168298526
2-[(6-bromo-1H-indazol-4-yl)amino]-2-phenylethanol
CID 168298705
(1R,2S)-2-[[(6-bromo-1H-indazol-4-yl)amino]methyl]cyclohex-3-en-1-ol
CID 156009087
2-[(6-bromo-1H-indazol-4-yl)amino]-2-(3-chlorophenyl)ethanol
CID 168298639
2-[(6-bromo-1H-indazol-4-yl)amino]-1-(3-chlorophenyl)ethanol
CID 168299232
3-[[(6-bromo-1H-indazol-4-yl)amino]methyl]benzoic acid
CID 130335334
3-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenol
CID 130335524

Frequently Asked Questions

What is the IUPAC name of [4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]methanol (CID 130335530) is [4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]methanol is OCc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1.
What is the InChIKey of [4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]methanol?
The InChIKey is MJBOYDKIACQZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c16-12-5-14(13-8-18-19-15(13)6-12)17-7-10-1-3-11(9-20)4-2-10/h1-6,8,17,20H,7,9H2,(H,18,19).
What are the key properties of [4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]methanol?
[4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]methanol has a molecular weight of 332.20 g/mol, XLogP of 3.43, 4 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]phenyl]methanol is sourced from PubChem (CID 130335530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).