2-bromo-4-[(1H-indazol-6-ylamino)methyl]-6-methoxyphenol

C15H14BrN3O2 — CID 2846352

IUPAC2-bromo-4-[(1H-indazol-6-ylamino)methyl]-6-methoxyphenol
SMILESCOc1cc(CNc2ccc3cn[nH]c3c2)cc(Br)c1O
InChIInChI=1S/C15H14BrN3O2/c1-21-14-5-9(4-12(16)15(14)20)7-17-11-3-2-10-8-18-19-13(10)6-11/h2-6,8,17,20H,7H2,1H3,(H,18,19)
InChIKeyHAQJVQIANZZEIJ-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.65
Rot. Bonds4

About 2-bromo-4-[(1H-indazol-6-ylamino)methyl]-6-methoxyphenol

2-bromo-4-[(1H-indazol-6-ylamino)methyl]-6-methoxyphenol (PubChem CID 2846352) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 2-bromo-4-[(1H-indazol-6-ylamino)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-4-[(1H-indazol-6-ylamino)methyl]-6-methoxyphenol
PubChem CID2846352
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name2-bromo-4-[(1H-indazol-6-ylamino)methyl]-6-methoxyphenol
SMILESCOc1cc(CNc2ccc3cn[nH]c3c2)cc(Br)c1O
InChIInChI=1S/C15H14BrN3O2/c1-21-14-5-9(4-12(16)15(14)20)7-17-11-3-2-10-8-18-19-13(10)6-11/h2-6,8,17,20H,7H2,1H3,(H,18,19)
InChIKeyHAQJVQIANZZEIJ-UHFFFAOYSA-N
XLogP3.65
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-((1H-indazol-6-ylamino)methyl)benzene-1,2-diol
CID 43743432
N-(3-ethoxy-4-methoxybenzyl)-1H-indazol-6-amine
CID 784380
N-(1,3-benzodioxol-5-ylmethyl)-6-bromo-1H-indazol-4-amine
CID 146669427
4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]benzene-1,2-diol
CID 155538038
5-[[(1,3-Dimethylindazol-6-yl)amino]methyl]-2-methoxyphenol
CID 172470783
N-[(3-bromo-4-methoxyphenyl)methyl]-1H-indazol-6-amine
CID 783775
Cambridge id 5457537
CID 784181
N-(1,3-benzodioxol-5-ylmethyl)-1H-indazol-6-amine
CID 3822987
Cambridge id 5464539
CID 784533
4-bromo-2-[(E)-(1H-indazol-5-ylimino)methyl]-6-methoxyphenol
CID 795041
N-[(3,4-dimethoxyphenyl)methyl]-1H-indazol-5-amine
CID 23847733
N-(5-bromo-2-methoxybenzyl)-1H-indazol-6-amine
CID 24071185

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(1H-indazol-6-ylamino)methyl]-6-methoxyphenol?
The IUPAC name of 2-bromo-4-[(1H-indazol-6-ylamino)methyl]-6-methoxyphenol (CID 2846352) is 2-bromo-4-[(1H-indazol-6-ylamino)methyl]-6-methoxyphenol.
What is the SMILES notation for 2-bromo-4-[(1H-indazol-6-ylamino)methyl]-6-methoxyphenol?
The canonical SMILES for 2-bromo-4-[(1H-indazol-6-ylamino)methyl]-6-methoxyphenol is COc1cc(CNc2ccc3cn[nH]c3c2)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-[(1H-indazol-6-ylamino)methyl]-6-methoxyphenol?
The InChIKey is HAQJVQIANZZEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-21-14-5-9(4-12(16)15(14)20)7-17-11-3-2-10-8-18-19-13(10)6-11/h2-6,8,17,20H,7H2,1H3,(H,18,19).
What are the key properties of 2-bromo-4-[(1H-indazol-6-ylamino)methyl]-6-methoxyphenol?
2-bromo-4-[(1H-indazol-6-ylamino)methyl]-6-methoxyphenol has a molecular weight of 348.20 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(1H-indazol-6-ylamino)methyl]-6-methoxyphenol is sourced from PubChem (CID 2846352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).