1-(4-bromo-3-chloro-2-fluorophenyl)-2-pyridin-4-ylethanol

C13H10BrClFNO — CID 106762011

IUPAC1-(4-bromo-3-chloro-2-fluorophenyl)-2-pyridin-4-ylethanol
SMILESOC(Cc1ccncc1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C13H10BrClFNO/c14-10-2-1-9(13(16)12(10)15)11(18)7-8-3-5-17-6-4-8/h1-6,11,18H,7H2
InChIKeyMEKGAMABRHOHLY-UHFFFAOYSA-N
MW330.58 g/mol
LogP3.91
Rot. Bonds3

About 1-(4-bromo-3-chloro-2-fluorophenyl)-2-pyridin-4-ylethanol

1-(4-bromo-3-chloro-2-fluorophenyl)-2-pyridin-4-ylethanol (PubChem CID 106762011) has the molecular formula C13H10BrClFNO and a molecular weight of 330.58 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-fluorophenyl)-2-pyridin-4-ylethanol.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-fluorophenyl)-2-pyridin-4-ylethanol
PubChem CID106762011
Molecular FormulaC13H10BrClFNO
Molecular Weight330.58 g/mol
Exact Mass328.96
IUPAC Name1-(4-bromo-3-chloro-2-fluorophenyl)-2-pyridin-4-ylethanol
SMILESOC(Cc1ccncc1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C13H10BrClFNO/c14-10-2-1-9(13(16)12(10)15)11(18)7-8-3-5-17-6-4-8/h1-6,11,18H,7H2
InChIKeyMEKGAMABRHOHLY-UHFFFAOYSA-N
XLogP3.91
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.58
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-(4-bromo-3-chloro-2-fluorophenyl)-2-pyridin-4-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfanylethanol
CID 106762014
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfonylethanol
CID 106765069
1-(4-bromo-3-chloro-2-fluorophenyl)hexan-1-ol
CID 106761382
1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol
CID 106765072
(1R)-1-(2,3-dichlorophenyl)-2-pyridin-4-ylethanol
CID 129368105
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(tert-butylamino)ethanol
CID 106763745
(4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol
CID 106761352
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 106765191
1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 106266424
1-(4-bromo-3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 106762188
1-(2-bromo-3,4-difluorophenyl)-2-(4-chlorophenyl)ethanol
CID 107538431
1-(4-bromo-3-chloro-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 106765023

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-pyridin-4-ylethanol?
The IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-pyridin-4-ylethanol (CID 106762011) is 1-(4-bromo-3-chloro-2-fluorophenyl)-2-pyridin-4-ylethanol.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-pyridin-4-ylethanol?
The canonical SMILES for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-pyridin-4-ylethanol is OC(Cc1ccncc1)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-pyridin-4-ylethanol?
The InChIKey is MEKGAMABRHOHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO/c14-10-2-1-9(13(16)12(10)15)11(18)7-8-3-5-17-6-4-8/h1-6,11,18H,7H2.
What are the key properties of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-pyridin-4-ylethanol?
1-(4-bromo-3-chloro-2-fluorophenyl)-2-pyridin-4-ylethanol has a molecular weight of 330.58 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-pyridin-4-ylethanol is sourced from PubChem (CID 106762011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).