2-(2-fluorophenyl)-5-iodo-1-methyl-6-methylidene-3-phenylpyridine

C19H15FIN — CID 161006549

IUPAC2-(2-fluorophenyl)-5-iodo-1-methyl-6-methylidene-3-phenylpyridine
SMILESC=C1C(I)=CC(c2ccccc2)=C(c2ccccc2F)N1C
InChIInChI=1S/C19H15FIN/c1-13-18(21)12-16(14-8-4-3-5-9-14)19(22(13)2)15-10-6-7-11-17(15)20/h3-12H,1H2,2H3
InChIKeyUFYYGCQDRZHXEJ-UHFFFAOYSA-N
MW403.24 g/mol
LogP5.47
Rot. Bonds2

About 2-(2-fluorophenyl)-5-iodo-1-methyl-6-methylidene-3-phenylpyridine

2-(2-fluorophenyl)-5-iodo-1-methyl-6-methylidene-3-phenylpyridine (PubChem CID 161006549) has the molecular formula C19H15FIN and a molecular weight of 403.24 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-iodo-1-methyl-6-methylidene-3-phenylpyridine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-iodo-1-methyl-6-methylidene-3-phenylpyridine
PubChem CID161006549
Molecular FormulaC19H15FIN
Molecular Weight403.24 g/mol
Exact Mass403.02
IUPAC Name2-(2-fluorophenyl)-5-iodo-1-methyl-6-methylidene-3-phenylpyridine
SMILESC=C1C(I)=CC(c2ccccc2)=C(c2ccccc2F)N1C
InChIInChI=1S/C19H15FIN/c1-13-18(21)12-16(14-8-4-3-5-9-14)19(22(13)2)15-10-6-7-11-17(15)20/h3-12H,1H2,2H3
InChIKeyUFYYGCQDRZHXEJ-UHFFFAOYSA-N
XLogP5.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.24
LogP ≤ 55.47
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-iodo-1-methyl-6-methylidene-3-phenylpyridine?
The IUPAC name of 2-(2-fluorophenyl)-5-iodo-1-methyl-6-methylidene-3-phenylpyridine (CID 161006549) is 2-(2-fluorophenyl)-5-iodo-1-methyl-6-methylidene-3-phenylpyridine.
What is the SMILES notation for 2-(2-fluorophenyl)-5-iodo-1-methyl-6-methylidene-3-phenylpyridine?
The canonical SMILES for 2-(2-fluorophenyl)-5-iodo-1-methyl-6-methylidene-3-phenylpyridine is C=C1C(I)=CC(c2ccccc2)=C(c2ccccc2F)N1C.
What is the InChIKey of 2-(2-fluorophenyl)-5-iodo-1-methyl-6-methylidene-3-phenylpyridine?
The InChIKey is UFYYGCQDRZHXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FIN/c1-13-18(21)12-16(14-8-4-3-5-9-14)19(22(13)2)15-10-6-7-11-17(15)20/h3-12H,1H2,2H3.
What are the key properties of 2-(2-fluorophenyl)-5-iodo-1-methyl-6-methylidene-3-phenylpyridine?
2-(2-fluorophenyl)-5-iodo-1-methyl-6-methylidene-3-phenylpyridine has a molecular weight of 403.24 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-iodo-1-methyl-6-methylidene-3-phenylpyridine is sourced from PubChem (CID 161006549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).