ethane;1-ethyl-5-fluoro-2-(2-fluorophenyl)-6-methylidene-3-phenylpyridine

C22H23F2N — CID 158448173

IUPACethane;1-ethyl-5-fluoro-2-(2-fluorophenyl)-6-methylidene-3-phenylpyridine
SMILESC=C1C(F)=CC(c2ccccc2)=C(c2ccccc2F)N1CC.CC
InChIInChI=1S/C20H17F2N.C2H6/c1-3-23-14(2)19(22)13-17(15-9-5-4-6-10-15)20(23)16-11-7-8-12-18(16)21;1-2/h4-13H,2-3H2,1H3;1-2H3
InChIKeyHDQKSNJIYGIRQS-UHFFFAOYSA-N
MW339.43 g/mol
LogP6.42
Rot. Bonds3

About ethane;1-ethyl-5-fluoro-2-(2-fluorophenyl)-6-methylidene-3-phenylpyridine

ethane;1-ethyl-5-fluoro-2-(2-fluorophenyl)-6-methylidene-3-phenylpyridine (PubChem CID 158448173) has the molecular formula C22H23F2N and a molecular weight of 339.43 g/mol. Its IUPAC name is ethane;1-ethyl-5-fluoro-2-(2-fluorophenyl)-6-methylidene-3-phenylpyridine.

Molecular Properties

Compound Nameethane;1-ethyl-5-fluoro-2-(2-fluorophenyl)-6-methylidene-3-phenylpyridine
PubChem CID158448173
Molecular FormulaC22H23F2N
Molecular Weight339.43 g/mol
Exact Mass339.18
IUPAC Nameethane;1-ethyl-5-fluoro-2-(2-fluorophenyl)-6-methylidene-3-phenylpyridine
SMILESC=C1C(F)=CC(c2ccccc2)=C(c2ccccc2F)N1CC.CC
InChIInChI=1S/C20H17F2N.C2H6/c1-3-23-14(2)19(22)13-17(15-9-5-4-6-10-15)20(23)16-11-7-8-12-18(16)21;1-2/h4-13H,2-3H2,1H3;1-2H3
InChIKeyHDQKSNJIYGIRQS-UHFFFAOYSA-N
XLogP6.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.43
LogP ≤ 56.42
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

5-bromo-2-(2-bromo-6-fluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
CID 160569676
2-(2-fluorophenyl)-5-iodo-1-methyl-6-methylidene-3-phenylpyridine
CID 161006549
2-(2-chloro-6-fluorophenyl)-1-ethyl-5-methyl-6-methylidene-3-phenylpyridine
CID 158106515
5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
CID 162140911
5-bromo-2-(3,5-difluoro-4-pyridinyl)-1-ethyl-6-methylidene-3-phenylpyridine
CID 159915225
5-bromo-2-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
CID 158063386
5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine
CID 162140912
1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-5-fluoro-6-methylidene-3-phenylpyridine
CID 161274694
2-(4-bromo-2,6-difluorophenyl)-5-fluoro-1-methyl-6-methylidene-3-phenylpyridine;ethane
CID 158990261
2-(4-chloro-2,6-difluorophenyl)-5-fluoro-1-methyl-6-methylidene-3-phenylpyridine
CID 158300340
1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-5-iodo-6-methylidene-3-phenylpyridine;ethane
CID 157458491
5-bromo-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-ethyl-6-methylidene-3-phenylpyridine
CID 158766166

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-5-fluoro-2-(2-fluorophenyl)-6-methylidene-3-phenylpyridine?
The IUPAC name of ethane;1-ethyl-5-fluoro-2-(2-fluorophenyl)-6-methylidene-3-phenylpyridine (CID 158448173) is ethane;1-ethyl-5-fluoro-2-(2-fluorophenyl)-6-methylidene-3-phenylpyridine.
What is the SMILES notation for ethane;1-ethyl-5-fluoro-2-(2-fluorophenyl)-6-methylidene-3-phenylpyridine?
The canonical SMILES for ethane;1-ethyl-5-fluoro-2-(2-fluorophenyl)-6-methylidene-3-phenylpyridine is C=C1C(F)=CC(c2ccccc2)=C(c2ccccc2F)N1CC.CC.
What is the InChIKey of ethane;1-ethyl-5-fluoro-2-(2-fluorophenyl)-6-methylidene-3-phenylpyridine?
The InChIKey is HDQKSNJIYGIRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N.C2H6/c1-3-23-14(2)19(22)13-17(15-9-5-4-6-10-15)20(23)16-11-7-8-12-18(16)21;1-2/h4-13H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;1-ethyl-5-fluoro-2-(2-fluorophenyl)-6-methylidene-3-phenylpyridine?
ethane;1-ethyl-5-fluoro-2-(2-fluorophenyl)-6-methylidene-3-phenylpyridine has a molecular weight of 339.43 g/mol, XLogP of 6.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-5-fluoro-2-(2-fluorophenyl)-6-methylidene-3-phenylpyridine is sourced from PubChem (CID 158448173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).