2-bromo-6-(1-bromo-2-fluoroethyl)pyridine;1-(6-bromo-2-pyridinyl)-2-fluoroethanol

C14H13Br3F2N2O — CID 158941102

IUPAC2-bromo-6-(1-bromo-2-fluoroethyl)pyridine;1-(6-bromo-2-pyridinyl)-2-fluoroethanol
SMILESFCC(Br)c1cccc(Br)n1.OC(CF)c1cccc(Br)n1
InChIInChI=1S/C7H6Br2FN.C7H7BrFNO/c8-5(4-10)6-2-1-3-7(9)11-6;8-7-3-1-2-5(10-7)6(11)4-9/h1-3,5H,4H2;1-3,6,11H,4H2
InChIKeyJKGJAIIFLNWMNO-UHFFFAOYSA-N
MW502.98 g/mol
LogP5.10
Rot. Bonds4

About 2-bromo-6-(1-bromo-2-fluoroethyl)pyridine;1-(6-bromo-2-pyridinyl)-2-fluoroethanol

2-bromo-6-(1-bromo-2-fluoroethyl)pyridine;1-(6-bromo-2-pyridinyl)-2-fluoroethanol (PubChem CID 158941102) has the molecular formula C14H13Br3F2N2O and a molecular weight of 502.98 g/mol. Its IUPAC name is 2-bromo-6-(1-bromo-2-fluoroethyl)pyridine;1-(6-bromo-2-pyridinyl)-2-fluoroethanol.

Molecular Properties

Compound Name2-bromo-6-(1-bromo-2-fluoroethyl)pyridine;1-(6-bromo-2-pyridinyl)-2-fluoroethanol
PubChem CID158941102
Molecular FormulaC14H13Br3F2N2O
Molecular Weight502.98 g/mol
Exact Mass499.85
IUPAC Name2-bromo-6-(1-bromo-2-fluoroethyl)pyridine;1-(6-bromo-2-pyridinyl)-2-fluoroethanol
SMILESFCC(Br)c1cccc(Br)n1.OC(CF)c1cccc(Br)n1
InChIInChI=1S/C7H6Br2FN.C7H7BrFNO/c8-5(4-10)6-2-1-3-7(9)11-6;8-7-3-1-2-5(10-7)6(11)4-9/h1-3,5H,4H2;1-3,6,11H,4H2
InChIKeyJKGJAIIFLNWMNO-UHFFFAOYSA-N
XLogP5.10
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.98
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromo-6-(1-bromo-2-fluoroethyl)pyridine;1-(6-bromo-2-pyridinyl)-2-fluoroethanol 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

(1S)-1-(6-bromo-2-pyridinyl)propan-1-ol
CID 124585075
1-(6-bromo-2-pyridinyl)-3,3-difluorobutan-1-ol
CID 118670698
1-(6-bromo-2-pyridinyl)pentan-1-ol
CID 58629907
1-(6-bromo-2-pyridinyl)-3-methoxypropan-1-ol
CID 58629904
(1S)-1-(6-bromo-2-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
CID 171222972
2-amino-2-(6-bromo-2-pyridinyl)ethanol;hydrochloride
CID 121347573
[(1S)-1-(6-bromo-2-pyridinyl)ethyl]azanium
CID 140601962
methyl (2R)-2-(6-bromo-2-pyridinyl)-2-hydroxyacetate
CID 129394725
(2R,3S)-3-amino-3-(6-bromo-2-pyridinyl)-2-hydroxypropanoic acid
CID 131029134
(1S)-1-(6-bromo-2-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171222954
ethyl (3R)-3-amino-3-(6-bromo-2-pyridinyl)-2-fluoropropanoate
CID 171240797
(1R,2S)-1-(6-bromo-2-pyridinyl)propane-1,2-diamine
CID 130806151

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(1-bromo-2-fluoroethyl)pyridine;1-(6-bromo-2-pyridinyl)-2-fluoroethanol?
The IUPAC name of 2-bromo-6-(1-bromo-2-fluoroethyl)pyridine;1-(6-bromo-2-pyridinyl)-2-fluoroethanol (CID 158941102) is 2-bromo-6-(1-bromo-2-fluoroethyl)pyridine;1-(6-bromo-2-pyridinyl)-2-fluoroethanol.
What is the SMILES notation for 2-bromo-6-(1-bromo-2-fluoroethyl)pyridine;1-(6-bromo-2-pyridinyl)-2-fluoroethanol?
The canonical SMILES for 2-bromo-6-(1-bromo-2-fluoroethyl)pyridine;1-(6-bromo-2-pyridinyl)-2-fluoroethanol is FCC(Br)c1cccc(Br)n1.OC(CF)c1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-(1-bromo-2-fluoroethyl)pyridine;1-(6-bromo-2-pyridinyl)-2-fluoroethanol?
The InChIKey is JKGJAIIFLNWMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2FN.C7H7BrFNO/c8-5(4-10)6-2-1-3-7(9)11-6;8-7-3-1-2-5(10-7)6(11)4-9/h1-3,5H,4H2;1-3,6,11H,4H2.
What are the key properties of 2-bromo-6-(1-bromo-2-fluoroethyl)pyridine;1-(6-bromo-2-pyridinyl)-2-fluoroethanol?
2-bromo-6-(1-bromo-2-fluoroethyl)pyridine;1-(6-bromo-2-pyridinyl)-2-fluoroethanol has a molecular weight of 502.98 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(1-bromo-2-fluoroethyl)pyridine;1-(6-bromo-2-pyridinyl)-2-fluoroethanol is sourced from PubChem (CID 158941102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).