1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-5-iodo-6-methylidene-3-phenylpyridine;ethane

C22H20F4IN — CID 157458491

IUPAC1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-5-iodo-6-methylidene-3-phenylpyridine;ethane
SMILESC=C1C(I)=CC(c2ccccc2)=C(c2c(F)cccc2F)N1CC(F)F.CC
InChIInChI=1S/C20H14F4IN.C2H6/c1-12-17(25)10-14(13-6-3-2-4-7-13)20(26(12)11-18(23)24)19-15(21)8-5-9-16(19)22;1-2/h2-10,18H,1,11H2;1-2H3
InChIKeyBTQJSXRHJQRUQO-UHFFFAOYSA-N
MW501.31 g/mol
LogP7.27
Rot. Bonds4

About 1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-5-iodo-6-methylidene-3-phenylpyridine;ethane

1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-5-iodo-6-methylidene-3-phenylpyridine;ethane (PubChem CID 157458491) has the molecular formula C22H20F4IN and a molecular weight of 501.31 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-5-iodo-6-methylidene-3-phenylpyridine;ethane.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-5-iodo-6-methylidene-3-phenylpyridine;ethane
PubChem CID157458491
Molecular FormulaC22H20F4IN
Molecular Weight501.31 g/mol
Exact Mass501.06
IUPAC Name1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-5-iodo-6-methylidene-3-phenylpyridine;ethane
SMILESC=C1C(I)=CC(c2ccccc2)=C(c2c(F)cccc2F)N1CC(F)F.CC
InChIInChI=1S/C20H14F4IN.C2H6/c1-12-17(25)10-14(13-6-3-2-4-7-13)20(26(12)11-18(23)24)19-15(21)8-5-9-16(19)22;1-2/h2-10,18H,1,11H2;1-2H3
InChIKeyBTQJSXRHJQRUQO-UHFFFAOYSA-N
XLogP7.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.31
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-5-iodo-6-methylidene-3-phenylpyridine;ethane 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

1-(2,2-difluoroethyl)-2-(3,5-difluoro-4-pyridinyl)-5-iodo-6-methylidene-3-phenylpyridine;ethane
CID 158492269
1-(2,2-difluoroethyl)-2-(3,5-difluoro-4-pyridinyl)-5-methyl-6-methylidene-3-phenylpyridine;ethane
CID 162187456
1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-6-methylidene-3-phenylpyridine;ethane
CID 161091403
5-chloro-1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-6-methylidene-3-phenylpyridine;ethane
CID 158999481
2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-5-iodo-1-methyl-6-methylidene-3-phenylpyridine
CID 161271844
5-chloro-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine;ethane
CID 160904167
2-(2-fluorophenyl)-5-iodo-1-methyl-6-methylidene-3-phenylpyridine
CID 161006549
5-bromo-2-(2-bromo-6-fluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
CID 160569676
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-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine
CID 162140912
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 1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-5-iodo-6-methylidene-3-phenylpyridine;ethane?
The IUPAC name of 1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-5-iodo-6-methylidene-3-phenylpyridine;ethane (CID 157458491) is 1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-5-iodo-6-methylidene-3-phenylpyridine;ethane.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-5-iodo-6-methylidene-3-phenylpyridine;ethane?
The canonical SMILES for 1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-5-iodo-6-methylidene-3-phenylpyridine;ethane is C=C1C(I)=CC(c2ccccc2)=C(c2c(F)cccc2F)N1CC(F)F.CC.
What is the InChIKey of 1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-5-iodo-6-methylidene-3-phenylpyridine;ethane?
The InChIKey is BTQJSXRHJQRUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4IN.C2H6/c1-12-17(25)10-14(13-6-3-2-4-7-13)20(26(12)11-18(23)24)19-15(21)8-5-9-16(19)22;1-2/h2-10,18H,1,11H2;1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-5-iodo-6-methylidene-3-phenylpyridine;ethane?
1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-5-iodo-6-methylidene-3-phenylpyridine;ethane has a molecular weight of 501.31 g/mol, XLogP of 7.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-5-iodo-6-methylidene-3-phenylpyridine;ethane is sourced from PubChem (CID 157458491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).