5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine

C21H18ClF2N — CID 162140912

IUPAC5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine
SMILESC=C1C(Cl)=CC(c2ccccc2)=C(c2c(F)cc(C)cc2F)N1CC
InChIInChI=1S/C21H18ClF2N/c1-4-25-14(3)17(22)12-16(15-8-6-5-7-9-15)21(25)20-18(23)10-13(2)11-19(20)24/h5-12H,3-4H2,1-2H3
InChIKeyQOBQBFQONBJJMW-UHFFFAOYSA-N
MW357.83 g/mol
LogP6.11
Rot. Bonds3

About 5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine

5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine (PubChem CID 162140912) has the molecular formula C21H18ClF2N and a molecular weight of 357.83 g/mol. Its IUPAC name is 5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine.

Molecular Properties

Compound Name5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine
PubChem CID162140912
Molecular FormulaC21H18ClF2N
Molecular Weight357.83 g/mol
Exact Mass357.11
IUPAC Name5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine
SMILESC=C1C(Cl)=CC(c2ccccc2)=C(c2c(F)cc(C)cc2F)N1CC
InChIInChI=1S/C21H18ClF2N/c1-4-25-14(3)17(22)12-16(15-8-6-5-7-9-15)21(25)20-18(23)10-13(2)11-19(20)24/h5-12H,3-4H2,1-2H3
InChIKeyQOBQBFQONBJJMW-UHFFFAOYSA-N
XLogP6.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.83
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
CID 162140911
2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine
CID 162039035
2-(2-chloro-6-fluorophenyl)-1-ethyl-5-methyl-6-methylidene-3-phenylpyridine
CID 158106515
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
5-bromo-2-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
CID 158063386
2-(4-bromo-2,6-difluorophenyl)-5-chloro-1-methyl-6-methylidene-3-phenylpyridine
CID 158173923
5-bromo-2-(3,5-difluoro-4-pyridinyl)-1-ethyl-6-methylidene-3-phenylpyridine
CID 159915225
5-bromo-2-(2-bromo-6-fluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
CID 160569676
5-bromo-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-ethyl-6-methylidene-3-phenylpyridine
CID 158766166
ethane;1-ethyl-5-fluoro-2-(2-fluorophenyl)-6-methylidene-3-phenylpyridine
CID 158448173
2-(4-chloro-2,6-difluorophenyl)-5-fluoro-1-methyl-6-methylidene-3-phenylpyridine
CID 158300340

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine?
The IUPAC name of 5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine (CID 162140912) is 5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine.
What is the SMILES notation for 5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine?
The canonical SMILES for 5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine is C=C1C(Cl)=CC(c2ccccc2)=C(c2c(F)cc(C)cc2F)N1CC.
What is the InChIKey of 5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine?
The InChIKey is QOBQBFQONBJJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF2N/c1-4-25-14(3)17(22)12-16(15-8-6-5-7-9-15)21(25)20-18(23)10-13(2)11-19(20)24/h5-12H,3-4H2,1-2H3.
What are the key properties of 5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine?
5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine has a molecular weight of 357.83 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine is sourced from PubChem (CID 162140912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).