3-[(4-bromo-2,6-difluorophenyl)methyl]pyridine

C12H8BrF2N — CID 121269348

IUPAC3-[(4-bromo-2,6-difluorophenyl)methyl]pyridine
SMILESFc1cc(Br)cc(F)c1Cc1cccnc1
InChIInChI=1S/C12H8BrF2N/c13-9-5-11(14)10(12(15)6-9)4-8-2-1-3-16-7-8/h1-3,5-7H,4H2
InChIKeyXIPGVEACOCUVEJ-UHFFFAOYSA-N
MW284.10 g/mol
LogP3.71
Rot. Bonds2

About 3-[(4-bromo-2,6-difluorophenyl)methyl]pyridine

3-[(4-bromo-2,6-difluorophenyl)methyl]pyridine (PubChem CID 121269348) has the molecular formula C12H8BrF2N and a molecular weight of 284.10 g/mol. Its IUPAC name is 3-[(4-bromo-2,6-difluorophenyl)methyl]pyridine.

Molecular Properties

Compound Name3-[(4-bromo-2,6-difluorophenyl)methyl]pyridine
PubChem CID121269348
Molecular FormulaC12H8BrF2N
Molecular Weight284.10 g/mol
Exact Mass282.98
IUPAC Name3-[(4-bromo-2,6-difluorophenyl)methyl]pyridine
SMILESFc1cc(Br)cc(F)c1Cc1cccnc1
InChIInChI=1S/C12H8BrF2N/c13-9-5-11(14)10(12(15)6-9)4-8-2-1-3-16-7-8/h1-3,5-7H,4H2
InChIKeyXIPGVEACOCUVEJ-UHFFFAOYSA-N
XLogP3.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(pyridin-3-ylmethyl)pyridine
CID 14762640
4,5-difluoro-2-(pyridin-3-ylmethyl)aniline
CID 90291449
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CID 55169012
3-[(4-fluoro-3-methylphenyl)methyl]pyridine
CID 175091377
1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanol
CID 104736133
6-bromo-8-fluoro-3-(pyridin-3-ylmethyl)quinazolin-4-one
CID 99839478
1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanone
CID 104735987
2-fluoro-6-(pyridin-3-ylmethyl)aniline
CID 105454246
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 79708649
4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43401146
4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 116528118
4-fluoro-2-(pyridin-3-ylmethyl)aniline
CID 105454248

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2,6-difluorophenyl)methyl]pyridine?
The IUPAC name of 3-[(4-bromo-2,6-difluorophenyl)methyl]pyridine (CID 121269348) is 3-[(4-bromo-2,6-difluorophenyl)methyl]pyridine.
What is the SMILES notation for 3-[(4-bromo-2,6-difluorophenyl)methyl]pyridine?
The canonical SMILES for 3-[(4-bromo-2,6-difluorophenyl)methyl]pyridine is Fc1cc(Br)cc(F)c1Cc1cccnc1.
What is the InChIKey of 3-[(4-bromo-2,6-difluorophenyl)methyl]pyridine?
The InChIKey is XIPGVEACOCUVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2N/c13-9-5-11(14)10(12(15)6-9)4-8-2-1-3-16-7-8/h1-3,5-7H,4H2.
What are the key properties of 3-[(4-bromo-2,6-difluorophenyl)methyl]pyridine?
3-[(4-bromo-2,6-difluorophenyl)methyl]pyridine has a molecular weight of 284.10 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2,6-difluorophenyl)methyl]pyridine is sourced from PubChem (CID 121269348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).