N-[2-(aminomethyl)-3-bromo-4-fluorophenyl]-1H-indazol-7-amine

C14H12BrFN4 — CID 91105939

IUPACN-[2-(aminomethyl)-3-bromo-4-fluorophenyl]-1H-indazol-7-amine
SMILESNCc1c(Nc2cccc3cn[nH]c23)ccc(F)c1Br
InChIInChI=1S/C14H12BrFN4/c15-13-9(6-17)11(5-4-10(13)16)19-12-3-1-2-8-7-18-20-14(8)12/h1-5,7,19H,6,17H2,(H,18,20)
InChIKeyDIRZUKODPYEFDH-UHFFFAOYSA-N
MW335.18 g/mol
LogP3.67
Rot. Bonds3

About N-[2-(aminomethyl)-3-bromo-4-fluorophenyl]-1H-indazol-7-amine

N-[2-(aminomethyl)-3-bromo-4-fluorophenyl]-1H-indazol-7-amine (PubChem CID 91105939) has the molecular formula C14H12BrFN4 and a molecular weight of 335.18 g/mol. Its IUPAC name is N-[2-(aminomethyl)-3-bromo-4-fluorophenyl]-1H-indazol-7-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)-3-bromo-4-fluorophenyl]-1H-indazol-7-amine
PubChem CID91105939
Molecular FormulaC14H12BrFN4
Molecular Weight335.18 g/mol
Exact Mass334.02
IUPAC NameN-[2-(aminomethyl)-3-bromo-4-fluorophenyl]-1H-indazol-7-amine
SMILESNCc1c(Nc2cccc3cn[nH]c23)ccc(F)c1Br
InChIInChI=1S/C14H12BrFN4/c15-13-9(6-17)11(5-4-10(13)16)19-12-3-1-2-8-7-18-20-14(8)12/h1-5,7,19H,6,17H2,(H,18,20)
InChIKeyDIRZUKODPYEFDH-UHFFFAOYSA-N
XLogP3.67
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-3-bromo-4-fluorophenyl]-1H-indazol-7-amine?
The IUPAC name of N-[2-(aminomethyl)-3-bromo-4-fluorophenyl]-1H-indazol-7-amine (CID 91105939) is N-[2-(aminomethyl)-3-bromo-4-fluorophenyl]-1H-indazol-7-amine.
What is the SMILES notation for N-[2-(aminomethyl)-3-bromo-4-fluorophenyl]-1H-indazol-7-amine?
The canonical SMILES for N-[2-(aminomethyl)-3-bromo-4-fluorophenyl]-1H-indazol-7-amine is NCc1c(Nc2cccc3cn[nH]c23)ccc(F)c1Br.
What is the InChIKey of N-[2-(aminomethyl)-3-bromo-4-fluorophenyl]-1H-indazol-7-amine?
The InChIKey is DIRZUKODPYEFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN4/c15-13-9(6-17)11(5-4-10(13)16)19-12-3-1-2-8-7-18-20-14(8)12/h1-5,7,19H,6,17H2,(H,18,20).
What are the key properties of N-[2-(aminomethyl)-3-bromo-4-fluorophenyl]-1H-indazol-7-amine?
N-[2-(aminomethyl)-3-bromo-4-fluorophenyl]-1H-indazol-7-amine has a molecular weight of 335.18 g/mol, XLogP of 3.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-3-bromo-4-fluorophenyl]-1H-indazol-7-amine is sourced from PubChem (CID 91105939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).