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

C14H9BrF2N2 — CID 114166471

IUPAC1-[(3-bromo-2,6-difluorophenyl)methyl]indazole
SMILESFc1ccc(Br)c(F)c1Cn1ncc2ccccc21
InChIInChI=1S/C14H9BrF2N2/c15-11-5-6-12(16)10(14(11)17)8-19-13-4-2-1-3-9(13)7-18-19/h1-7H,8H2
InChIKeyLTWGEDNTXLKHOA-UHFFFAOYSA-N
MW323.14 g/mol
LogP4.13
Rot. Bonds2

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

1-[(3-bromo-2,6-difluorophenyl)methyl]indazole (PubChem CID 114166471) has the molecular formula C14H9BrF2N2 and a molecular weight of 323.14 g/mol. Its IUPAC name is 1-[(3-bromo-2,6-difluorophenyl)methyl]indazole.

Molecular Properties

Compound Name1-[(3-bromo-2,6-difluorophenyl)methyl]indazole
PubChem CID114166471
Molecular FormulaC14H9BrF2N2
Molecular Weight323.14 g/mol
Exact Mass321.99
IUPAC Name1-[(3-bromo-2,6-difluorophenyl)methyl]indazole
SMILESFc1ccc(Br)c(F)c1Cn1ncc2ccccc21
InChIInChI=1S/C14H9BrF2N2/c15-11-5-6-12(16)10(14(11)17)8-19-13-4-2-1-3-9(13)7-18-19/h1-7H,8H2
InChIKeyLTWGEDNTXLKHOA-UHFFFAOYSA-N
XLogP4.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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]indazol-3-amine
CID 106270947
1-[(3-bromo-2,6-difluorophenyl)methyl]-5-methylpyrazole-4-carboxylic acid
CID 106264462
2-[(3-bromo-2,6-difluorophenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 106269647
[2-[(3-bromo-2,6-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 114166751
1-[(3-bromo-2,6-difluorophenyl)methyl]-4-(trifluoromethyl)pyrazole
CID 106269524
6-amino-2-[(3-bromo-2,6-difluorophenyl)methyl]pyridazin-3-one
CID 114166631
1-[(3-bromo-4-methoxyphenyl)methyl]indazole
CID 62140207
1-ethylindazole;propane
CID 143188130
cobalt;1-ethylindazole
CID 58657391
N-[(3-bromo-2,6-difluorophenyl)methyl]naphthalen-1-amine
CID 106263071
1-[3-bromo-4-(indazol-1-ylmethyl)phenyl]-N-methylmethanamine
CID 102772080
1-propylindazole
CID 18695497

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]indazole?
The IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]indazole (CID 114166471) is 1-[(3-bromo-2,6-difluorophenyl)methyl]indazole.
What is the SMILES notation for 1-[(3-bromo-2,6-difluorophenyl)methyl]indazole?
The canonical SMILES for 1-[(3-bromo-2,6-difluorophenyl)methyl]indazole is Fc1ccc(Br)c(F)c1Cn1ncc2ccccc21.
What is the InChIKey of 1-[(3-bromo-2,6-difluorophenyl)methyl]indazole?
The InChIKey is LTWGEDNTXLKHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2N2/c15-11-5-6-12(16)10(14(11)17)8-19-13-4-2-1-3-9(13)7-18-19/h1-7H,8H2.
What are the key properties of 1-[(3-bromo-2,6-difluorophenyl)methyl]indazole?
1-[(3-bromo-2,6-difluorophenyl)methyl]indazole has a molecular weight of 323.14 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2,6-difluorophenyl)methyl]indazole is sourced from PubChem (CID 114166471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).