2-(4-bromo-2,6-difluorophenyl)-5-chloro-1-methyl-6-methylidene-3-phenylpyridine

C19H13BrClF2N — CID 158173923

IUPAC2-(4-bromo-2,6-difluorophenyl)-5-chloro-1-methyl-6-methylidene-3-phenylpyridine
SMILESC=C1C(Cl)=CC(c2ccccc2)=C(c2c(F)cc(Br)cc2F)N1C
InChIInChI=1S/C19H13BrClF2N/c1-11-15(21)10-14(12-6-4-3-5-7-12)19(24(11)2)18-16(22)8-13(20)9-17(18)23/h3-10H,1H2,2H3
InChIKeyDRRXINACRVKQQM-UHFFFAOYSA-N
MW408.67 g/mol
LogP6.18
Rot. Bonds2

About 2-(4-bromo-2,6-difluorophenyl)-5-chloro-1-methyl-6-methylidene-3-phenylpyridine

2-(4-bromo-2,6-difluorophenyl)-5-chloro-1-methyl-6-methylidene-3-phenylpyridine (PubChem CID 158173923) has the molecular formula C19H13BrClF2N and a molecular weight of 408.67 g/mol. Its IUPAC name is 2-(4-bromo-2,6-difluorophenyl)-5-chloro-1-methyl-6-methylidene-3-phenylpyridine.

Molecular Properties

Compound Name2-(4-bromo-2,6-difluorophenyl)-5-chloro-1-methyl-6-methylidene-3-phenylpyridine
PubChem CID158173923
Molecular FormulaC19H13BrClF2N
Molecular Weight408.67 g/mol
Exact Mass406.99
IUPAC Name2-(4-bromo-2,6-difluorophenyl)-5-chloro-1-methyl-6-methylidene-3-phenylpyridine
SMILESC=C1C(Cl)=CC(c2ccccc2)=C(c2c(F)cc(Br)cc2F)N1C
InChIInChI=1S/C19H13BrClF2N/c1-11-15(21)10-14(12-6-4-3-5-7-12)19(24(11)2)18-16(22)8-13(20)9-17(18)23/h3-10H,1H2,2H3
InChIKeyDRRXINACRVKQQM-UHFFFAOYSA-N
XLogP6.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.67
LogP ≤ 56.18
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

2-(4-bromo-2,6-difluorophenyl)-5-fluoro-1-methyl-6-methylidene-3-phenylpyridine;ethane
CID 158990261
2-(4-bromo-2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3-phenylpyridine;ethane
CID 159359800
2-(4-chloro-2,6-difluorophenyl)-5-fluoro-1-methyl-6-methylidene-3-phenylpyridine
CID 158300340
5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine
CID 162140912
5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
CID 162140911
5-chloro-1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-6-methylidene-3-phenylpyridine;ethane
CID 158999481
5-chloro-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine;ethane
CID 160904167
2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-5-iodo-1-methyl-6-methylidene-3-phenylpyridine
CID 161271844
5-chloro-2-(3-chloro-5-methoxy-2-pyridinyl)-1-methyl-6-methylidene-3-phenylpyridine
CID 161309004
5-bromo-2-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
CID 158063386
2-(2-fluorophenyl)-5-iodo-1-methyl-6-methylidene-3-phenylpyridine
CID 161006549
5-bromo-2-(3,5-difluoro-4-pyridinyl)-1-ethyl-6-methylidene-3-phenylpyridine
CID 159915225

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-difluorophenyl)-5-chloro-1-methyl-6-methylidene-3-phenylpyridine?
The IUPAC name of 2-(4-bromo-2,6-difluorophenyl)-5-chloro-1-methyl-6-methylidene-3-phenylpyridine (CID 158173923) is 2-(4-bromo-2,6-difluorophenyl)-5-chloro-1-methyl-6-methylidene-3-phenylpyridine.
What is the SMILES notation for 2-(4-bromo-2,6-difluorophenyl)-5-chloro-1-methyl-6-methylidene-3-phenylpyridine?
The canonical SMILES for 2-(4-bromo-2,6-difluorophenyl)-5-chloro-1-methyl-6-methylidene-3-phenylpyridine is C=C1C(Cl)=CC(c2ccccc2)=C(c2c(F)cc(Br)cc2F)N1C.
What is the InChIKey of 2-(4-bromo-2,6-difluorophenyl)-5-chloro-1-methyl-6-methylidene-3-phenylpyridine?
The InChIKey is DRRXINACRVKQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrClF2N/c1-11-15(21)10-14(12-6-4-3-5-7-12)19(24(11)2)18-16(22)8-13(20)9-17(18)23/h3-10H,1H2,2H3.
What are the key properties of 2-(4-bromo-2,6-difluorophenyl)-5-chloro-1-methyl-6-methylidene-3-phenylpyridine?
2-(4-bromo-2,6-difluorophenyl)-5-chloro-1-methyl-6-methylidene-3-phenylpyridine has a molecular weight of 408.67 g/mol, XLogP of 6.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-difluorophenyl)-5-chloro-1-methyl-6-methylidene-3-phenylpyridine is sourced from PubChem (CID 158173923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).