4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-fluorophenol

C14H11BrFN3O — CID 146669496

IUPAC4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-fluorophenol
SMILESOc1ccc(CNc2cc(Br)cc3[nH]ncc23)c(F)c1
InChIInChI=1S/C14H11BrFN3O/c15-9-3-13(11-7-18-19-14(11)4-9)17-6-8-1-2-10(20)5-12(8)16/h1-5,7,17,20H,6H2,(H,18,19)
InChIKeyMEGNQJJAZQROCK-UHFFFAOYSA-N
MW336.16 g/mol
LogP3.78
Rot. Bonds3

About 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-fluorophenol

4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-fluorophenol (PubChem CID 146669496) has the molecular formula C14H11BrFN3O and a molecular weight of 336.16 g/mol. Its IUPAC name is 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-fluorophenol
PubChem CID146669496
Molecular FormulaC14H11BrFN3O
Molecular Weight336.16 g/mol
Exact Mass335.01
IUPAC Name4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-fluorophenol
SMILESOc1ccc(CNc2cc(Br)cc3[nH]ncc23)c(F)c1
InChIInChI=1S/C14H11BrFN3O/c15-9-3-13(11-7-18-19-14(11)4-9)17-6-8-1-2-10(20)5-12(8)16/h1-5,7,17,20H,6H2,(H,18,19)
InChIKeyMEGNQJJAZQROCK-UHFFFAOYSA-N
XLogP3.78
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-fluorophenol?
The IUPAC name of 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-fluorophenol (CID 146669496) is 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-fluorophenol.
What is the SMILES notation for 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-fluorophenol?
The canonical SMILES for 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-fluorophenol is Oc1ccc(CNc2cc(Br)cc3[nH]ncc23)c(F)c1.
What is the InChIKey of 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-fluorophenol?
The InChIKey is MEGNQJJAZQROCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3O/c15-9-3-13(11-7-18-19-14(11)4-9)17-6-8-1-2-10(20)5-12(8)16/h1-5,7,17,20H,6H2,(H,18,19).
What are the key properties of 4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-fluorophenol?
4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-fluorophenol has a molecular weight of 336.16 g/mol, XLogP of 3.78, 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]-3-fluorophenol is sourced from PubChem (CID 146669496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).