2-(2-bromo-4,6-difluorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine

C20H14BrF4N — CID 158261763

IUPAC2-(2-bromo-4,6-difluorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine
SMILESC=C1C=CC(c2ccccc2)=C(c2c(F)cc(F)cc2Br)N1CC(F)F
InChIInChI=1S/C20H14BrF4N/c1-12-7-8-15(13-5-3-2-4-6-13)20(26(12)11-18(24)25)19-16(21)9-14(22)10-17(19)23/h2-10,18H,1,11H2
InChIKeySRFBZRLQFFFVQB-UHFFFAOYSA-N
MW424.24 g/mol
LogP6.25
Rot. Bonds4

About 2-(2-bromo-4,6-difluorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine

2-(2-bromo-4,6-difluorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine (PubChem CID 158261763) has the molecular formula C20H14BrF4N and a molecular weight of 424.24 g/mol. Its IUPAC name is 2-(2-bromo-4,6-difluorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine.

Molecular Properties

Compound Name2-(2-bromo-4,6-difluorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine
PubChem CID158261763
Molecular FormulaC20H14BrF4N
Molecular Weight424.24 g/mol
Exact Mass423.02
IUPAC Name2-(2-bromo-4,6-difluorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine
SMILESC=C1C=CC(c2ccccc2)=C(c2c(F)cc(F)cc2Br)N1CC(F)F
InChIInChI=1S/C20H14BrF4N/c1-12-7-8-15(13-5-3-2-4-6-13)20(26(12)11-18(24)25)19-16(21)9-14(22)10-17(19)23/h2-10,18H,1,11H2
InChIKeySRFBZRLQFFFVQB-UHFFFAOYSA-N
XLogP6.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.24
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-6-methylidene-3-phenylpyridine;ethane
CID 161091403
1-(2,2-difluoroethyl)-2-[2,6-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methylidene-3-phenylpyridine;ethane
CID 159258863
2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine
CID 162039035
2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-methyl-6-methylidene-3-phenylpyridine;ethane
CID 162109193
2-(2-bromo-6-fluorophenyl)-1-methyl-6-methylidene-3-phenylpyridine;ethane
CID 162135829
5-bromo-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-ethyl-6-methylidene-3-phenylpyridine
CID 158766166
5-chloro-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine;ethane
CID 160904167
5-chloro-1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-6-methylidene-3-phenylpyridine;ethane
CID 158999481
1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-5-iodo-6-methylidene-3-phenylpyridine;ethane
CID 157458491
1-(2,2-difluoroethyl)-2-(3,5-difluoro-4-pyridinyl)-5-methyl-6-methylidene-3-phenylpyridine;ethane
CID 162187456
1-(2,2-difluoroethyl)-2-(3,5-difluoro-4-pyridinyl)-5-iodo-6-methylidene-3-phenylpyridine;ethane
CID 158492269
5-bromo-2-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
CID 158063386

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-difluorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine?
The IUPAC name of 2-(2-bromo-4,6-difluorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine (CID 158261763) is 2-(2-bromo-4,6-difluorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine.
What is the SMILES notation for 2-(2-bromo-4,6-difluorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine?
The canonical SMILES for 2-(2-bromo-4,6-difluorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine is C=C1C=CC(c2ccccc2)=C(c2c(F)cc(F)cc2Br)N1CC(F)F.
What is the InChIKey of 2-(2-bromo-4,6-difluorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine?
The InChIKey is SRFBZRLQFFFVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrF4N/c1-12-7-8-15(13-5-3-2-4-6-13)20(26(12)11-18(24)25)19-16(21)9-14(22)10-17(19)23/h2-10,18H,1,11H2.
What are the key properties of 2-(2-bromo-4,6-difluorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine?
2-(2-bromo-4,6-difluorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine has a molecular weight of 424.24 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-difluorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine is sourced from PubChem (CID 158261763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).