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

C14H12BrN3O — CID 134148837

IUPAC2-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenol
SMILESOc1ccccc1CNc1cc(Br)cc2[nH]ncc12
InChIInChI=1S/C14H12BrN3O/c15-10-5-12(11-8-17-18-13(11)6-10)16-7-9-3-1-2-4-14(9)19/h1-6,8,16,19H,7H2,(H,17,18)
InChIKeyIWFPHRQZHDYUTC-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.64
Rot. Bonds3

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

2-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenol (PubChem CID 134148837) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 2-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenol
PubChem CID134148837
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name2-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenol
SMILESOc1ccccc1CNc1cc(Br)cc2[nH]ncc12
InChIInChI=1S/C14H12BrN3O/c15-10-5-12(11-8-17-18-13(11)6-10)16-7-9-3-1-2-4-14(9)19/h1-6,8,16,19H,7H2,(H,17,18)
InChIKeyIWFPHRQZHDYUTC-UHFFFAOYSA-N
XLogP3.64
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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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
4-Bromo-2-[(1H-indazol-5-ylimino)-methyl]-phenol
CID 795026
3-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-4-nitrophenol
CID 168275708
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]-1-(3-chlorophenyl)ethanol
CID 168299232
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
4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-fluorophenol
CID 146669487

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenol?
The IUPAC name of 2-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenol (CID 134148837) is 2-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenol?
The canonical SMILES for 2-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenol is Oc1ccccc1CNc1cc(Br)cc2[nH]ncc12.
What is the InChIKey of 2-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenol?
The InChIKey is IWFPHRQZHDYUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c15-10-5-12(11-8-17-18-13(11)6-10)16-7-9-3-1-2-4-14(9)19/h1-6,8,16,19H,7H2,(H,17,18).
What are the key properties of 2-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenol?
2-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenol has a molecular weight of 318.17 g/mol, XLogP of 3.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenol is sourced from PubChem (CID 134148837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).