2-[1-bromo-1-(2,6-difluorophenyl)propan-2-yl]pyridine

C14H12BrF2N — CID 66455083

IUPAC2-[1-bromo-1-(2,6-difluorophenyl)propan-2-yl]pyridine
SMILESCC(c1ccccn1)C(Br)c1c(F)cccc1F
InChIInChI=1S/C14H12BrF2N/c1-9(12-7-2-3-8-18-12)14(15)13-10(16)5-4-6-11(13)17/h2-9,14H,1H3
InChIKeyMNMHHSDWUNMYNQ-UHFFFAOYSA-N
MW312.16 g/mol
LogP4.60
Rot. Bonds3

About 2-[1-bromo-1-(2,6-difluorophenyl)propan-2-yl]pyridine

2-[1-bromo-1-(2,6-difluorophenyl)propan-2-yl]pyridine (PubChem CID 66455083) has the molecular formula C14H12BrF2N and a molecular weight of 312.16 g/mol. Its IUPAC name is 2-[1-bromo-1-(2,6-difluorophenyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-bromo-1-(2,6-difluorophenyl)propan-2-yl]pyridine
PubChem CID66455083
Molecular FormulaC14H12BrF2N
Molecular Weight312.16 g/mol
Exact Mass311.01
IUPAC Name2-[1-bromo-1-(2,6-difluorophenyl)propan-2-yl]pyridine
SMILESCC(c1ccccn1)C(Br)c1c(F)cccc1F
InChIInChI=1S/C14H12BrF2N/c1-9(12-7-2-3-8-18-12)14(15)13-10(16)5-4-6-11(13)17/h2-9,14H,1H3
InChIKeyMNMHHSDWUNMYNQ-UHFFFAOYSA-N
XLogP4.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 54.60
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-[1-bromo-1-(2-bromo-6-fluorophenyl)propan-2-yl]pyridine
CID 114561364
2-[1-bromo-1-(2-chloro-6-fluorophenyl)propan-2-yl]pyridine
CID 66454214
2-[1-bromo-1-(2,3-dichlorophenyl)propan-2-yl]pyridine
CID 66454208
2-[1-bromo-1-[4-(difluoromethoxy)phenyl]propan-2-yl]pyridine
CID 66454217
2-[1-bromo-1-(furan-2-yl)propan-2-yl]pyridine
CID 66452265
2-[1-bromo-1-(2-chlorophenyl)propan-2-yl]pyridine
CID 66453993
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
2-[1-chloro-1-(2,4,6-trifluorophenyl)propan-2-yl]pyridine
CID 66460615
2-[1-bromo-1-(2,5-dimethylphenyl)propan-2-yl]pyridine
CID 66454426
2-[1-bromo-1-(2-ethoxyphenyl)propan-2-yl]pyridine
CID 66454421
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
2-[1-bromo-1-(4,5-dibromothiophen-2-yl)propan-2-yl]pyridine
CID 80538097

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-1-(2,6-difluorophenyl)propan-2-yl]pyridine?
The IUPAC name of 2-[1-bromo-1-(2,6-difluorophenyl)propan-2-yl]pyridine (CID 66455083) is 2-[1-bromo-1-(2,6-difluorophenyl)propan-2-yl]pyridine.
What is the SMILES notation for 2-[1-bromo-1-(2,6-difluorophenyl)propan-2-yl]pyridine?
The canonical SMILES for 2-[1-bromo-1-(2,6-difluorophenyl)propan-2-yl]pyridine is CC(c1ccccn1)C(Br)c1c(F)cccc1F.
What is the InChIKey of 2-[1-bromo-1-(2,6-difluorophenyl)propan-2-yl]pyridine?
The InChIKey is MNMHHSDWUNMYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N/c1-9(12-7-2-3-8-18-12)14(15)13-10(16)5-4-6-11(13)17/h2-9,14H,1H3.
What are the key properties of 2-[1-bromo-1-(2,6-difluorophenyl)propan-2-yl]pyridine?
2-[1-bromo-1-(2,6-difluorophenyl)propan-2-yl]pyridine has a molecular weight of 312.16 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-bromo-1-(2,6-difluorophenyl)propan-2-yl]pyridine is sourced from PubChem (CID 66455083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).