2-[2-bromo-2-(3,4-difluorophenyl)ethyl]pyridine

C13H10BrF2N — CID 66454388

IUPAC2-[2-bromo-2-(3,4-difluorophenyl)ethyl]pyridine
SMILESFc1ccc(C(Br)Cc2ccccn2)cc1F
InChIInChI=1S/C13H10BrF2N/c14-11(8-10-3-1-2-6-17-10)9-4-5-12(15)13(16)7-9/h1-7,11H,8H2
InChIKeyUERLZVCVYQBSCE-UHFFFAOYSA-N
MW298.13 g/mol
LogP4.04
Rot. Bonds3

About 2-[2-bromo-2-(3,4-difluorophenyl)ethyl]pyridine

2-[2-bromo-2-(3,4-difluorophenyl)ethyl]pyridine (PubChem CID 66454388) has the molecular formula C13H10BrF2N and a molecular weight of 298.13 g/mol. Its IUPAC name is 2-[2-bromo-2-(3,4-difluorophenyl)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-bromo-2-(3,4-difluorophenyl)ethyl]pyridine
PubChem CID66454388
Molecular FormulaC13H10BrF2N
Molecular Weight298.13 g/mol
Exact Mass297.00
IUPAC Name2-[2-bromo-2-(3,4-difluorophenyl)ethyl]pyridine
SMILESFc1ccc(C(Br)Cc2ccccn2)cc1F
InChIInChI=1S/C13H10BrF2N/c14-11(8-10-3-1-2-6-17-10)9-4-5-12(15)13(16)7-9/h1-7,11H,8H2
InChIKeyUERLZVCVYQBSCE-UHFFFAOYSA-N
XLogP4.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine
CID 81488563
2-[2-bromo-2-(4-tert-butylphenyl)ethyl]pyridine
CID 66455038
2-[2-chloro-2-(3-chloro-4-fluorophenyl)ethyl]pyridine
CID 82878772
2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]pyridine
CID 66454612
2-[2-bromo-2-(3,5-dimethoxyphenyl)ethyl]pyridine
CID 66453744
[1-(3,4-difluorophenyl)-3-pyridin-2-ylpropyl]hydrazine
CID 105304967
4-[1-bromo-2-(4-methylphenyl)ethyl]-1,2-difluorobenzene
CID 55218629
1-(3-fluoro-4-methylphenyl)-2-pyridin-2-ylethanamine
CID 43118868
4-[1-bromo-2-(2-methoxyphenyl)ethyl]-1,2-difluorobenzene
CID 63440149
2-[2-bromo-2-(2,4-dibromophenyl)ethyl]pyridine
CID 107958138
4-[1-bromo-2-(2-nitrophenyl)ethyl]-1,2-difluorobenzene
CID 63018155
2-[2-(1-benzofuran-2-yl)-2-bromoethyl]pyridine
CID 66455045

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(3,4-difluorophenyl)ethyl]pyridine?
The IUPAC name of 2-[2-bromo-2-(3,4-difluorophenyl)ethyl]pyridine (CID 66454388) is 2-[2-bromo-2-(3,4-difluorophenyl)ethyl]pyridine.
What is the SMILES notation for 2-[2-bromo-2-(3,4-difluorophenyl)ethyl]pyridine?
The canonical SMILES for 2-[2-bromo-2-(3,4-difluorophenyl)ethyl]pyridine is Fc1ccc(C(Br)Cc2ccccn2)cc1F.
What is the InChIKey of 2-[2-bromo-2-(3,4-difluorophenyl)ethyl]pyridine?
The InChIKey is UERLZVCVYQBSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2N/c14-11(8-10-3-1-2-6-17-10)9-4-5-12(15)13(16)7-9/h1-7,11H,8H2.
What are the key properties of 2-[2-bromo-2-(3,4-difluorophenyl)ethyl]pyridine?
2-[2-bromo-2-(3,4-difluorophenyl)ethyl]pyridine has a molecular weight of 298.13 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(3,4-difluorophenyl)ethyl]pyridine is sourced from PubChem (CID 66454388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).