1-[(3-bromo-2,6-difluorophenyl)methyl]indazol-3-amine

C14H10BrF2N3 — CID 106270947

IUPAC1-[(3-bromo-2,6-difluorophenyl)methyl]indazol-3-amine
SMILESNc1nn(Cc2c(F)ccc(Br)c2F)c2ccccc12
InChIInChI=1S/C14H10BrF2N3/c15-10-5-6-11(16)9(13(10)17)7-20-12-4-2-1-3-8(12)14(18)19-20/h1-6H,7H2,(H2,18,19)
InChIKeyVQVACUZISCXUIJ-UHFFFAOYSA-N
MW338.16 g/mol
LogP3.71
Rot. Bonds2

About 1-[(3-bromo-2,6-difluorophenyl)methyl]indazol-3-amine

1-[(3-bromo-2,6-difluorophenyl)methyl]indazol-3-amine (PubChem CID 106270947) has the molecular formula C14H10BrF2N3 and a molecular weight of 338.16 g/mol. Its IUPAC name is 1-[(3-bromo-2,6-difluorophenyl)methyl]indazol-3-amine.

Molecular Properties

Compound Name1-[(3-bromo-2,6-difluorophenyl)methyl]indazol-3-amine
PubChem CID106270947
Molecular FormulaC14H10BrF2N3
Molecular Weight338.16 g/mol
Exact Mass337.00
IUPAC Name1-[(3-bromo-2,6-difluorophenyl)methyl]indazol-3-amine
SMILESNc1nn(Cc2c(F)ccc(Br)c2F)c2ccccc12
InChIInChI=1S/C14H10BrF2N3/c15-10-5-6-11(16)9(13(10)17)7-20-12-4-2-1-3-8(12)14(18)19-20/h1-6H,7H2,(H2,18,19)
InChIKeyVQVACUZISCXUIJ-UHFFFAOYSA-N
XLogP3.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[(3-bromo-2,6-difluorophenyl)methyl]indazole
CID 114166471
6-amino-2-[(3-bromo-2,6-difluorophenyl)methyl]pyridazin-3-one
CID 114166631
1-[(4-bromothiophen-2-yl)methyl]indazol-3-amine
CID 55104056
1-[(2-chlorophenyl)methyl]indazol-3-amine
CID 55104008
1-[(3,5-dimethylphenyl)methyl]indazol-3-amine
CID 62685871
[1-[(3-bromo-2,6-difluorophenyl)methyl]indol-4-yl]methanamine
CID 106265006
1-butylindazol-3-amine
CID 62686774
[2-[(3-bromo-2,6-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 114166751
1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-3-amine
CID 64773024
1-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine
CID 114934339
1-[2-(diethylamino)ethyl]indazol-3-amine
CID 107913543
2-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 106268410

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]indazol-3-amine?
The IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]indazol-3-amine (CID 106270947) is 1-[(3-bromo-2,6-difluorophenyl)methyl]indazol-3-amine.
What is the SMILES notation for 1-[(3-bromo-2,6-difluorophenyl)methyl]indazol-3-amine?
The canonical SMILES for 1-[(3-bromo-2,6-difluorophenyl)methyl]indazol-3-amine is Nc1nn(Cc2c(F)ccc(Br)c2F)c2ccccc12.
What is the InChIKey of 1-[(3-bromo-2,6-difluorophenyl)methyl]indazol-3-amine?
The InChIKey is VQVACUZISCXUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2N3/c15-10-5-6-11(16)9(13(10)17)7-20-12-4-2-1-3-8(12)14(18)19-20/h1-6H,7H2,(H2,18,19).
What are the key properties of 1-[(3-bromo-2,6-difluorophenyl)methyl]indazol-3-amine?
1-[(3-bromo-2,6-difluorophenyl)methyl]indazol-3-amine has a molecular weight of 338.16 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2,6-difluorophenyl)methyl]indazol-3-amine is sourced from PubChem (CID 106270947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).