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

C14H11BrClN3O — CID 146669493

IUPAC4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-chlorophenol
SMILESOc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1Cl
InChIInChI=1S/C14H11BrClN3O/c15-9-4-12(10-7-18-19-13(10)5-9)17-6-8-1-2-14(20)11(16)3-8/h1-5,7,17,20H,6H2,(H,18,19)
InChIKeyOMOSAJIDKWXHGH-UHFFFAOYSA-N
MW352.62 g/mol
LogP4.30
Rot. Bonds3

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

4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-chlorophenol (PubChem CID 146669493) has the molecular formula C14H11BrClN3O and a molecular weight of 352.62 g/mol. Its IUPAC name is 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-chlorophenol.

Molecular Properties

Compound Name4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-chlorophenol
PubChem CID146669493
Molecular FormulaC14H11BrClN3O
Molecular Weight352.62 g/mol
Exact Mass350.98
IUPAC Name4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-chlorophenol
SMILESOc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1Cl
InChIInChI=1S/C14H11BrClN3O/c15-9-4-12(10-7-18-19-13(10)5-9)17-6-8-1-2-14(20)11(16)3-8/h1-5,7,17,20H,6H2,(H,18,19)
InChIKeyOMOSAJIDKWXHGH-UHFFFAOYSA-N
XLogP4.30
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.62
LogP ≤ 54.30
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-chloro-4-[[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]methyl]phenol
CID 168287503
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]phenol
CID 130335524
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]-2-methylphenol
CID 146669488
4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-methylphenol
CID 146669491
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-chlorophenol?
The IUPAC name of 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-chlorophenol (CID 146669493) is 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-chlorophenol.
What is the SMILES notation for 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-chlorophenol?
The canonical SMILES for 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-chlorophenol is Oc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1Cl.
What is the InChIKey of 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-chlorophenol?
The InChIKey is OMOSAJIDKWXHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3O/c15-9-4-12(10-7-18-19-13(10)5-9)17-6-8-1-2-14(20)11(16)3-8/h1-5,7,17,20H,6H2,(H,18,19).
What are the key properties of 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-chlorophenol?
4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-chlorophenol has a molecular weight of 352.62 g/mol, XLogP of 4.30, 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-chlorophenol is sourced from PubChem (CID 146669493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).