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

C19H13ClF3N — CID 158300340

IUPAC2-(4-chloro-2,6-difluorophenyl)-5-fluoro-1-methyl-6-methylidene-3-phenylpyridine
SMILESC=C1C(F)=CC(c2ccccc2)=C(c2c(F)cc(Cl)cc2F)N1C
InChIInChI=1S/C19H13ClF3N/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
InChIKeyROBCZBFUMLCUCE-UHFFFAOYSA-N
MW347.77 g/mol
LogP5.80
Rot. Bonds2

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

2-(4-chloro-2,6-difluorophenyl)-5-fluoro-1-methyl-6-methylidene-3-phenylpyridine (PubChem CID 158300340) has the molecular formula C19H13ClF3N and a molecular weight of 347.77 g/mol. Its IUPAC name is 2-(4-chloro-2,6-difluorophenyl)-5-fluoro-1-methyl-6-methylidene-3-phenylpyridine.

Molecular Properties

Compound Name2-(4-chloro-2,6-difluorophenyl)-5-fluoro-1-methyl-6-methylidene-3-phenylpyridine
PubChem CID158300340
Molecular FormulaC19H13ClF3N
Molecular Weight347.77 g/mol
Exact Mass347.07
IUPAC Name2-(4-chloro-2,6-difluorophenyl)-5-fluoro-1-methyl-6-methylidene-3-phenylpyridine
SMILESC=C1C(F)=CC(c2ccccc2)=C(c2c(F)cc(Cl)cc2F)N1C
InChIInChI=1S/C19H13ClF3N/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
InChIKeyROBCZBFUMLCUCE-UHFFFAOYSA-N
XLogP5.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.77
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-difluorophenyl)-5-fluoro-1-methyl-6-methylidene-3-phenylpyridine?
The IUPAC name of 2-(4-chloro-2,6-difluorophenyl)-5-fluoro-1-methyl-6-methylidene-3-phenylpyridine (CID 158300340) is 2-(4-chloro-2,6-difluorophenyl)-5-fluoro-1-methyl-6-methylidene-3-phenylpyridine.
What is the SMILES notation for 2-(4-chloro-2,6-difluorophenyl)-5-fluoro-1-methyl-6-methylidene-3-phenylpyridine?
The canonical SMILES for 2-(4-chloro-2,6-difluorophenyl)-5-fluoro-1-methyl-6-methylidene-3-phenylpyridine is C=C1C(F)=CC(c2ccccc2)=C(c2c(F)cc(Cl)cc2F)N1C.
What is the InChIKey of 2-(4-chloro-2,6-difluorophenyl)-5-fluoro-1-methyl-6-methylidene-3-phenylpyridine?
The InChIKey is ROBCZBFUMLCUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N/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-chloro-2,6-difluorophenyl)-5-fluoro-1-methyl-6-methylidene-3-phenylpyridine?
2-(4-chloro-2,6-difluorophenyl)-5-fluoro-1-methyl-6-methylidene-3-phenylpyridine has a molecular weight of 347.77 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,6-difluorophenyl)-5-fluoro-1-methyl-6-methylidene-3-phenylpyridine is sourced from PubChem (CID 158300340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).