2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol

C16H14BrFN2O — CID 103129098

IUPAC2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol
SMILESCn1nc(C(O)Cc2cccc(F)c2Br)c2ccccc21
InChIInChI=1S/C16H14BrFN2O/c1-20-13-8-3-2-6-11(13)16(19-20)14(21)9-10-5-4-7-12(18)15(10)17/h2-8,14,21H,9H2,1H3
InChIKeyPMBBWKGNAHMKHL-UHFFFAOYSA-N
MW349.20 g/mol
LogP3.75
Rot. Bonds3

About 2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol

2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol (PubChem CID 103129098) has the molecular formula C16H14BrFN2O and a molecular weight of 349.20 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol
PubChem CID103129098
Molecular FormulaC16H14BrFN2O
Molecular Weight349.20 g/mol
Exact Mass348.03
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol
SMILESCn1nc(C(O)Cc2cccc(F)c2Br)c2ccccc21
InChIInChI=1S/C16H14BrFN2O/c1-20-13-8-3-2-6-11(13)16(19-20)14(21)9-10-5-4-7-12(18)15(10)17/h2-8,14,21H,9H2,1H3
InChIKeyPMBBWKGNAHMKHL-UHFFFAOYSA-N
XLogP3.75
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103127876
2-(5-bromo-2-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol
CID 103128662
1-(1-methylindazol-3-yl)heptan-1-ol
CID 103128650
1-(1-methylindazol-3-yl)-2-thiophen-2-ylethanol
CID 103128674
3-(difluoromethyl)-1-methylindazole
CID 153487584
2-(2-bromo-3-fluorophenyl)-1-(1-methyltriazol-4-yl)ethanol
CID 112735961
1-(2-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanol
CID 115815135
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylindazol-3-yl)ethanol
CID 103129093
3-methyl-1-(1-methylindazol-3-yl)pentan-1-ol
CID 103128712
1-(1-methylindazol-3-yl)-2-propan-2-yloxyethanol
CID 103129050
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanol
CID 114885692
2-(2-bromo-3-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105118256

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol (CID 103129098) is 2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol is Cn1nc(C(O)Cc2cccc(F)c2Br)c2ccccc21.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol?
The InChIKey is PMBBWKGNAHMKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O/c1-20-13-8-3-2-6-11(13)16(19-20)14(21)9-10-5-4-7-12(18)15(10)17/h2-8,14,21H,9H2,1H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol?
2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol has a molecular weight of 349.20 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol is sourced from PubChem (CID 103129098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).