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

C21H19ClFN — CID 158106515

IUPAC2-(2-chloro-6-fluorophenyl)-1-ethyl-5-methyl-6-methylidene-3-phenylpyridine
SMILESC=C1C(C)=CC(c2ccccc2)=C(c2c(F)cccc2Cl)N1CC
InChIInChI=1S/C21H19ClFN/c1-4-24-15(3)14(2)13-17(16-9-6-5-7-10-16)21(24)20-18(22)11-8-12-19(20)23/h5-13H,3-4H2,1-2H3
InChIKeyQMTCFRHFWOPCNX-UHFFFAOYSA-N
MW339.84 g/mol
LogP6.14
Rot. Bonds3

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

2-(2-chloro-6-fluorophenyl)-1-ethyl-5-methyl-6-methylidene-3-phenylpyridine (PubChem CID 158106515) has the molecular formula C21H19ClFN and a molecular weight of 339.84 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-ethyl-5-methyl-6-methylidene-3-phenylpyridine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-ethyl-5-methyl-6-methylidene-3-phenylpyridine
PubChem CID158106515
Molecular FormulaC21H19ClFN
Molecular Weight339.84 g/mol
Exact Mass339.12
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-ethyl-5-methyl-6-methylidene-3-phenylpyridine
SMILESC=C1C(C)=CC(c2ccccc2)=C(c2c(F)cccc2Cl)N1CC
InChIInChI=1S/C21H19ClFN/c1-4-24-15(3)14(2)13-17(16-9-6-5-7-10-16)21(24)20-18(22)11-8-12-19(20)23/h5-13H,3-4H2,1-2H3
InChIKeyQMTCFRHFWOPCNX-UHFFFAOYSA-N
XLogP6.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.84
LogP ≤ 56.14
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-(2-chloro-6-fluorophenyl)-1-ethyl-5-methyl-6-methylidene-3-phenylpyridine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-ethyl-5-methyl-6-methylidene-3-phenylpyridine (CID 158106515) is 2-(2-chloro-6-fluorophenyl)-1-ethyl-5-methyl-6-methylidene-3-phenylpyridine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-ethyl-5-methyl-6-methylidene-3-phenylpyridine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-ethyl-5-methyl-6-methylidene-3-phenylpyridine is C=C1C(C)=CC(c2ccccc2)=C(c2c(F)cccc2Cl)N1CC.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-ethyl-5-methyl-6-methylidene-3-phenylpyridine?
The InChIKey is QMTCFRHFWOPCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN/c1-4-24-15(3)14(2)13-17(16-9-6-5-7-10-16)21(24)20-18(22)11-8-12-19(20)23/h5-13H,3-4H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-ethyl-5-methyl-6-methylidene-3-phenylpyridine?
2-(2-chloro-6-fluorophenyl)-1-ethyl-5-methyl-6-methylidene-3-phenylpyridine has a molecular weight of 339.84 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-ethyl-5-methyl-6-methylidene-3-phenylpyridine is sourced from PubChem (CID 158106515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).