3-bromo-6-(2,6-difluorophenyl)-1-ethyl-2-methylidenepyridine

C14H12BrF2N — CID 161029028

IUPAC3-bromo-6-(2,6-difluorophenyl)-1-ethyl-2-methylidenepyridine
SMILESC=C1C(Br)=CC=C(c2c(F)cccc2F)N1CC
InChIInChI=1S/C14H12BrF2N/c1-3-18-9(2)10(15)7-8-13(18)14-11(16)5-4-6-12(14)17/h4-8H,2-3H2,1H3
InChIKeyLKUBFDYRXPMVPY-UHFFFAOYSA-N
MW312.16 g/mol
LogP4.43
Rot. Bonds2

About 3-bromo-6-(2,6-difluorophenyl)-1-ethyl-2-methylidenepyridine

3-bromo-6-(2,6-difluorophenyl)-1-ethyl-2-methylidenepyridine (PubChem CID 161029028) has the molecular formula C14H12BrF2N and a molecular weight of 312.16 g/mol. Its IUPAC name is 3-bromo-6-(2,6-difluorophenyl)-1-ethyl-2-methylidenepyridine.

Molecular Properties

Compound Name3-bromo-6-(2,6-difluorophenyl)-1-ethyl-2-methylidenepyridine
PubChem CID161029028
Molecular FormulaC14H12BrF2N
Molecular Weight312.16 g/mol
Exact Mass311.01
IUPAC Name3-bromo-6-(2,6-difluorophenyl)-1-ethyl-2-methylidenepyridine
SMILESC=C1C(Br)=CC=C(c2c(F)cccc2F)N1CC
InChIInChI=1S/C14H12BrF2N/c1-3-18-9(2)10(15)7-8-13(18)14-11(16)5-4-6-12(14)17/h4-8H,2-3H2,1H3
InChIKeyLKUBFDYRXPMVPY-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(2,6-difluorophenyl)-1-ethyl-2-methylidenepyridine?
The IUPAC name of 3-bromo-6-(2,6-difluorophenyl)-1-ethyl-2-methylidenepyridine (CID 161029028) is 3-bromo-6-(2,6-difluorophenyl)-1-ethyl-2-methylidenepyridine.
What is the SMILES notation for 3-bromo-6-(2,6-difluorophenyl)-1-ethyl-2-methylidenepyridine?
The canonical SMILES for 3-bromo-6-(2,6-difluorophenyl)-1-ethyl-2-methylidenepyridine is C=C1C(Br)=CC=C(c2c(F)cccc2F)N1CC.
What is the InChIKey of 3-bromo-6-(2,6-difluorophenyl)-1-ethyl-2-methylidenepyridine?
The InChIKey is LKUBFDYRXPMVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N/c1-3-18-9(2)10(15)7-8-13(18)14-11(16)5-4-6-12(14)17/h4-8H,2-3H2,1H3.
What are the key properties of 3-bromo-6-(2,6-difluorophenyl)-1-ethyl-2-methylidenepyridine?
3-bromo-6-(2,6-difluorophenyl)-1-ethyl-2-methylidenepyridine has a molecular weight of 312.16 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(2,6-difluorophenyl)-1-ethyl-2-methylidenepyridine is sourced from PubChem (CID 161029028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).