2-bromo-6-[(2-fluorophenyl)methyl]pyridine

C12H9BrFN — CID 86652414

IUPAC2-bromo-6-[(2-fluorophenyl)methyl]pyridine
SMILESFc1ccccc1Cc1cccc(Br)n1
InChIInChI=1S/C12H9BrFN/c13-12-7-3-5-10(15-12)8-9-4-1-2-6-11(9)14/h1-7H,8H2
InChIKeyAMSJWYYJMXRBII-UHFFFAOYSA-N
MW266.11 g/mol
LogP3.57
Rot. Bonds2

About 2-bromo-6-[(2-fluorophenyl)methyl]pyridine

2-bromo-6-[(2-fluorophenyl)methyl]pyridine (PubChem CID 86652414) has the molecular formula C12H9BrFN and a molecular weight of 266.11 g/mol. Its IUPAC name is 2-bromo-6-[(2-fluorophenyl)methyl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[(2-fluorophenyl)methyl]pyridine
PubChem CID86652414
Molecular FormulaC12H9BrFN
Molecular Weight266.11 g/mol
Exact Mass264.99
IUPAC Name2-bromo-6-[(2-fluorophenyl)methyl]pyridine
SMILESFc1ccccc1Cc1cccc(Br)n1
InChIInChI=1S/C12H9BrFN/c13-12-7-3-5-10(15-12)8-9-4-1-2-6-11(9)14/h1-7H,8H2
InChIKeyAMSJWYYJMXRBII-UHFFFAOYSA-N
XLogP3.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.11
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-[(2-fluorophenyl)methyl]pyrimidine
CID 117224480
6-bromo-N-[2-(2-fluorophenyl)ethyl]pyridin-2-amine
CID 63963216
4-bromo-6-[(2-fluorophenyl)methyl]pyrimidine
CID 121205690
8-bromo-2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine
CID 117137365
2-bromo-5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazole
CID 114771364
6-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 103874178
2-[(2-fluorophenyl)methyl]-6-(1-methylpyrrolidin-2-yl)pyridine
CID 110254376
5-bromo-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine
CID 66301820
N-[(6-bromo-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine
CID 130604297
N-[(6-bromo-2-pyridinyl)methyl]-2-fluoro-5-methylsulfonylaniline
CID 115937982
4-[(2-fluorophenyl)methyl]pyridine
CID 23294432
2-bromo-6-(methylsulfanylmethyl)pyridine
CID 59526020

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(2-fluorophenyl)methyl]pyridine?
The IUPAC name of 2-bromo-6-[(2-fluorophenyl)methyl]pyridine (CID 86652414) is 2-bromo-6-[(2-fluorophenyl)methyl]pyridine.
What is the SMILES notation for 2-bromo-6-[(2-fluorophenyl)methyl]pyridine?
The canonical SMILES for 2-bromo-6-[(2-fluorophenyl)methyl]pyridine is Fc1ccccc1Cc1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-[(2-fluorophenyl)methyl]pyridine?
The InChIKey is AMSJWYYJMXRBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN/c13-12-7-3-5-10(15-12)8-9-4-1-2-6-11(9)14/h1-7H,8H2.
What are the key properties of 2-bromo-6-[(2-fluorophenyl)methyl]pyridine?
2-bromo-6-[(2-fluorophenyl)methyl]pyridine has a molecular weight of 266.11 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(2-fluorophenyl)methyl]pyridine is sourced from PubChem (CID 86652414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).