3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyridine

C19H16FN — CID 144943522

IUPAC3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyridine
SMILESCc1ccc(-c2cccnc2-c2cccc(F)c2)cc1C
InChIInChI=1S/C19H16FN/c1-13-8-9-15(11-14(13)2)18-7-4-10-21-19(18)16-5-3-6-17(20)12-16/h3-12H,1-2H3
InChIKeyMRVLALFJRGPVPD-UHFFFAOYSA-N
MW277.34 g/mol
LogP5.17
Rot. Bonds2

About 3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyridine

3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyridine (PubChem CID 144943522) has the molecular formula C19H16FN and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyridine.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyridine
PubChem CID144943522
Molecular FormulaC19H16FN
Molecular Weight277.34 g/mol
Exact Mass277.13
IUPAC Name3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyridine
SMILESCc1ccc(-c2cccnc2-c2cccc(F)c2)cc1C
InChIInChI=1S/C19H16FN/c1-13-8-9-15(11-14(13)2)18-7-4-10-21-19(18)16-5-3-6-17(20)12-16/h3-12H,1-2H3
InChIKeyMRVLALFJRGPVPD-UHFFFAOYSA-N
XLogP5.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.34
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyridine?
The IUPAC name of 3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyridine (CID 144943522) is 3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyridine.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyridine?
The canonical SMILES for 3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyridine is Cc1ccc(-c2cccnc2-c2cccc(F)c2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyridine?
The InChIKey is MRVLALFJRGPVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN/c1-13-8-9-15(11-14(13)2)18-7-4-10-21-19(18)16-5-3-6-17(20)12-16/h3-12H,1-2H3.
What are the key properties of 3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyridine?
3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyridine has a molecular weight of 277.34 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyridine is sourced from PubChem (CID 144943522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).