4-[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylphenyl]-2-methylidene-1H-pyridine

C21H20FN — CID 126636469

IUPAC4-[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylphenyl]-2-methylidene-1H-pyridine
SMILESC=C1C=C(c2ccc(C)cc2Cc2ccc(F)cc2C)C=CN1
InChIInChI=1S/C21H20FN/c1-14-4-7-21(18-8-9-23-16(3)12-18)19(10-14)13-17-5-6-20(22)11-15(17)2/h4-12,23H,3,13H2,1-2H3
InChIKeyPIZXVSNFQVHBCN-UHFFFAOYSA-N
MW305.40 g/mol
LogP5.05
Rot. Bonds3

About 4-[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylphenyl]-2-methylidene-1H-pyridine

4-[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylphenyl]-2-methylidene-1H-pyridine (PubChem CID 126636469) has the molecular formula C21H20FN and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylphenyl]-2-methylidene-1H-pyridine.

Molecular Properties

Compound Name4-[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylphenyl]-2-methylidene-1H-pyridine
PubChem CID126636469
Molecular FormulaC21H20FN
Molecular Weight305.40 g/mol
Exact Mass305.16
IUPAC Name4-[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylphenyl]-2-methylidene-1H-pyridine
SMILESC=C1C=C(c2ccc(C)cc2Cc2ccc(F)cc2C)C=CN1
InChIInChI=1S/C21H20FN/c1-14-4-7-21(18-8-9-23-16(3)12-18)19(10-14)13-17-5-6-20(22)11-15(17)2/h4-12,23H,3,13H2,1-2H3
InChIKeyPIZXVSNFQVHBCN-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.40
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylphenyl]-2-methylidene-1H-pyridine?
The IUPAC name of 4-[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylphenyl]-2-methylidene-1H-pyridine (CID 126636469) is 4-[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylphenyl]-2-methylidene-1H-pyridine.
What is the SMILES notation for 4-[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylphenyl]-2-methylidene-1H-pyridine?
The canonical SMILES for 4-[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylphenyl]-2-methylidene-1H-pyridine is C=C1C=C(c2ccc(C)cc2Cc2ccc(F)cc2C)C=CN1.
What is the InChIKey of 4-[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylphenyl]-2-methylidene-1H-pyridine?
The InChIKey is PIZXVSNFQVHBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN/c1-14-4-7-21(18-8-9-23-16(3)12-18)19(10-14)13-17-5-6-20(22)11-15(17)2/h4-12,23H,3,13H2,1-2H3.
What are the key properties of 4-[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylphenyl]-2-methylidene-1H-pyridine?
4-[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylphenyl]-2-methylidene-1H-pyridine has a molecular weight of 305.40 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylphenyl]-2-methylidene-1H-pyridine is sourced from PubChem (CID 126636469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).