3-bromo-6-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-2-methylidenepyridine

C15H14BrF2NO — CID 160922763

IUPAC3-bromo-6-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-2-methylidenepyridine
SMILESC=C1C(Br)=CC=C(c2ccc(OCC(F)F)cc2)N1C
InChIInChI=1S/C15H14BrF2NO/c1-10-13(16)7-8-14(19(10)2)11-3-5-12(6-4-11)20-9-15(17)18/h3-8,15H,1,9H2,2H3
InChIKeySYNLVDPJGYMNJX-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.41
Rot. Bonds4

About 3-bromo-6-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-2-methylidenepyridine

3-bromo-6-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-2-methylidenepyridine (PubChem CID 160922763) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 3-bromo-6-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-2-methylidenepyridine.

Molecular Properties

Compound Name3-bromo-6-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-2-methylidenepyridine
PubChem CID160922763
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name3-bromo-6-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-2-methylidenepyridine
SMILESC=C1C(Br)=CC=C(c2ccc(OCC(F)F)cc2)N1C
InChIInChI=1S/C15H14BrF2NO/c1-10-13(16)7-8-14(19(10)2)11-3-5-12(6-4-11)20-9-15(17)18/h3-8,15H,1,9H2,2H3
InChIKeySYNLVDPJGYMNJX-UHFFFAOYSA-N
XLogP4.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159506707
3-iodo-6-[4-(2-methoxyethoxy)phenyl]-1-methyl-2-methylidenepyridine
CID 158644812
1-(bromomethyl)-4-(2,2-difluoroethoxy)benzene
CID 60921505
1-(2,2-difluoroethoxy)-4-(2-methoxyethynyl)benzene
CID 156627016
2-[4-(2,2-difluoroethoxy)phenyl]-1-ethyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159935289
5-bromo-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-ethyl-6-methylidene-3-phenylpyridine
CID 158766166
2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-5-iodo-1-methyl-6-methylidene-3-phenylpyridine
CID 161271844
1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene
CID 65203003
2-bromo-4-(2,2-difluoroethoxy)-1-fluorobenzene
CID 83231769
3-chloro-1-(2,2-difluoroethyl)-6-(4-methoxyphenyl)-2-methylidenepyridine
CID 147986146
3-bromo-6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium
CID 159204350
2-[4-(2,2-difluoroethoxy)phenyl]-1-(2,2-difluoroethyl)-5-ethynyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 158732629

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-2-methylidenepyridine?
The IUPAC name of 3-bromo-6-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-2-methylidenepyridine (CID 160922763) is 3-bromo-6-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-2-methylidenepyridine.
What is the SMILES notation for 3-bromo-6-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-2-methylidenepyridine?
The canonical SMILES for 3-bromo-6-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-2-methylidenepyridine is C=C1C(Br)=CC=C(c2ccc(OCC(F)F)cc2)N1C.
What is the InChIKey of 3-bromo-6-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-2-methylidenepyridine?
The InChIKey is SYNLVDPJGYMNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-10-13(16)7-8-14(19(10)2)11-3-5-12(6-4-11)20-9-15(17)18/h3-8,15H,1,9H2,2H3.
What are the key properties of 3-bromo-6-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-2-methylidenepyridine?
3-bromo-6-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-2-methylidenepyridine has a molecular weight of 342.18 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-2-methylidenepyridine is sourced from PubChem (CID 160922763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).