6-N-[(5-bromo-2-fluorophenyl)methyl]-1H-indazole-5,6-diamine

C14H12BrFN4 — CID 107489222

IUPAC6-N-[(5-bromo-2-fluorophenyl)methyl]-1H-indazole-5,6-diamine
SMILESNc1cc2cn[nH]c2cc1NCc1cc(Br)ccc1F
InChIInChI=1S/C14H12BrFN4/c15-10-1-2-11(16)8(3-10)6-18-14-5-13-9(4-12(14)17)7-19-20-13/h1-5,7,18H,6,17H2,(H,19,20)
InChIKeyGXIDCOILTNREHE-UHFFFAOYSA-N
MW335.18 g/mol
LogP3.66
Rot. Bonds3

About 6-N-[(5-bromo-2-fluorophenyl)methyl]-1H-indazole-5,6-diamine

6-N-[(5-bromo-2-fluorophenyl)methyl]-1H-indazole-5,6-diamine (PubChem CID 107489222) has the molecular formula C14H12BrFN4 and a molecular weight of 335.18 g/mol. Its IUPAC name is 6-N-[(5-bromo-2-fluorophenyl)methyl]-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-[(5-bromo-2-fluorophenyl)methyl]-1H-indazole-5,6-diamine
PubChem CID107489222
Molecular FormulaC14H12BrFN4
Molecular Weight335.18 g/mol
Exact Mass334.02
IUPAC Name6-N-[(5-bromo-2-fluorophenyl)methyl]-1H-indazole-5,6-diamine
SMILESNc1cc2cn[nH]c2cc1NCc1cc(Br)ccc1F
InChIInChI=1S/C14H12BrFN4/c15-10-1-2-11(16)8(3-10)6-18-14-5-13-9(4-12(14)17)7-19-20-13/h1-5,7,18H,6,17H2,(H,19,20)
InChIKeyGXIDCOILTNREHE-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-N-(4-bromo-2-ethylphenyl)-1H-indazole-5,6-diamine
CID 107490746
6-N-(2-aminoethyl)-1H-indazole-5,6-diamine
CID 107490038
6-N-(2,5-dibromophenyl)-1H-indazole-5,6-diamine
CID 107489373
6-N-(5-bromo-2-methylphenyl)-1H-indazole-5,6-diamine
CID 107489116
4-[[(5-amino-1H-indazol-6-yl)amino]methyl]benzonitrile
CID 107489977
2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline
CID 43683047
4-amino-3-[(5-bromo-2-fluorophenyl)methylamino]benzenesulfonamide
CID 82900077
2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 116795672
4-[[(5-amino-1H-indazol-6-yl)amino]methyl]cyclohexan-1-ol
CID 106120243
N-[(5-bromo-2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61301023
6-N-tert-butyl-1H-indazole-5,6-diamine
CID 107488480
4-N-[(5-bromo-2-fluorophenyl)methyl]quinoline-4,8-diamine
CID 83065691

Frequently Asked Questions

What is the IUPAC name of 6-N-[(5-bromo-2-fluorophenyl)methyl]-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-[(5-bromo-2-fluorophenyl)methyl]-1H-indazole-5,6-diamine (CID 107489222) is 6-N-[(5-bromo-2-fluorophenyl)methyl]-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-[(5-bromo-2-fluorophenyl)methyl]-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-[(5-bromo-2-fluorophenyl)methyl]-1H-indazole-5,6-diamine is Nc1cc2cn[nH]c2cc1NCc1cc(Br)ccc1F.
What is the InChIKey of 6-N-[(5-bromo-2-fluorophenyl)methyl]-1H-indazole-5,6-diamine?
The InChIKey is GXIDCOILTNREHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN4/c15-10-1-2-11(16)8(3-10)6-18-14-5-13-9(4-12(14)17)7-19-20-13/h1-5,7,18H,6,17H2,(H,19,20).
What are the key properties of 6-N-[(5-bromo-2-fluorophenyl)methyl]-1H-indazole-5,6-diamine?
6-N-[(5-bromo-2-fluorophenyl)methyl]-1H-indazole-5,6-diamine has a molecular weight of 335.18 g/mol, XLogP of 3.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(5-bromo-2-fluorophenyl)methyl]-1H-indazole-5,6-diamine is sourced from PubChem (CID 107489222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).