2-[[4-(difluoromethyl)-3-methylphenyl]methyl]-3-(4-ethyl-3-pyridinyl)pyridine

C21H20F2N2 — CID 135246908

IUPAC2-[[4-(difluoromethyl)-3-methylphenyl]methyl]-3-(4-ethyl-3-pyridinyl)pyridine
SMILESCCc1ccncc1-c1cccnc1Cc1ccc(C(F)F)c(C)c1
InChIInChI=1S/C21H20F2N2/c1-3-16-8-10-24-13-19(16)18-5-4-9-25-20(18)12-15-6-7-17(21(22)23)14(2)11-15/h4-11,13,21H,3,12H2,1-2H3
InChIKeyPDUCUAPZUXUIOE-UHFFFAOYSA-N
MW338.40 g/mol
LogP5.54
Rot. Bonds5

About 2-[[4-(difluoromethyl)-3-methylphenyl]methyl]-3-(4-ethyl-3-pyridinyl)pyridine

2-[[4-(difluoromethyl)-3-methylphenyl]methyl]-3-(4-ethyl-3-pyridinyl)pyridine (PubChem CID 135246908) has the molecular formula C21H20F2N2 and a molecular weight of 338.40 g/mol. Its IUPAC name is 2-[[4-(difluoromethyl)-3-methylphenyl]methyl]-3-(4-ethyl-3-pyridinyl)pyridine.

Molecular Properties

Compound Name2-[[4-(difluoromethyl)-3-methylphenyl]methyl]-3-(4-ethyl-3-pyridinyl)pyridine
PubChem CID135246908
Molecular FormulaC21H20F2N2
Molecular Weight338.40 g/mol
Exact Mass338.16
IUPAC Name2-[[4-(difluoromethyl)-3-methylphenyl]methyl]-3-(4-ethyl-3-pyridinyl)pyridine
SMILESCCc1ccncc1-c1cccnc1Cc1ccc(C(F)F)c(C)c1
InChIInChI=1S/C21H20F2N2/c1-3-16-8-10-24-13-19(16)18-5-4-9-25-20(18)12-15-6-7-17(21(22)23)14(2)11-15/h4-11,13,21H,3,12H2,1-2H3
InChIKeyPDUCUAPZUXUIOE-UHFFFAOYSA-N
XLogP5.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.40
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-chloro-2-methylphenyl)-3-(3-ethyl-2-pyridinyl)-N-methylpropan-1-amine
CID 167169233
4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]methyl]-5-(5-ethyl-2,4-difluorophenyl)pyrimidine
CID 135246736
1-bromo-3-[4-(difluoromethyl)-3-methylphenyl]propan-2-one
CID 134616711
5-[[3-(2-ethyl-4-fluorophenyl)-2-pyridinyl]methyl]-2-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine
CID 135246607
2-(2-cyclobutyloxy-1,1-difluoroethyl)-5-[[3-(2-ethylphenyl)-2-pyridinyl]methyl]pyridine
CID 135246880
ethyl 4-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]benzoate
CID 135235779
4-(2-ethyl-3-pyridinyl)-6-methylpyridine-3-carboxylic acid
CID 143282268
6-(4-ethyl-3-pyridinyl)-8-methylisoquinolin-3-amine
CID 142447924
5-[[3-(4-fluoro-2-methylphenyl)-2-pyridinyl]methyl]-2-[2-(2-methylphenyl)ethyl]pyrimidine
CID 135246467
3-[(4-fluoro-3-methylphenyl)methyl]pyridine
CID 175091377
N-[(3-ethyl-2-pyridinyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 82729895
2-[[3-(difluoromethyl)-4-fluorophenyl]methyl]pyrazine
CID 175294439

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethyl)-3-methylphenyl]methyl]-3-(4-ethyl-3-pyridinyl)pyridine?
The IUPAC name of 2-[[4-(difluoromethyl)-3-methylphenyl]methyl]-3-(4-ethyl-3-pyridinyl)pyridine (CID 135246908) is 2-[[4-(difluoromethyl)-3-methylphenyl]methyl]-3-(4-ethyl-3-pyridinyl)pyridine.
What is the SMILES notation for 2-[[4-(difluoromethyl)-3-methylphenyl]methyl]-3-(4-ethyl-3-pyridinyl)pyridine?
The canonical SMILES for 2-[[4-(difluoromethyl)-3-methylphenyl]methyl]-3-(4-ethyl-3-pyridinyl)pyridine is CCc1ccncc1-c1cccnc1Cc1ccc(C(F)F)c(C)c1.
What is the InChIKey of 2-[[4-(difluoromethyl)-3-methylphenyl]methyl]-3-(4-ethyl-3-pyridinyl)pyridine?
The InChIKey is PDUCUAPZUXUIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2/c1-3-16-8-10-24-13-19(16)18-5-4-9-25-20(18)12-15-6-7-17(21(22)23)14(2)11-15/h4-11,13,21H,3,12H2,1-2H3.
What are the key properties of 2-[[4-(difluoromethyl)-3-methylphenyl]methyl]-3-(4-ethyl-3-pyridinyl)pyridine?
2-[[4-(difluoromethyl)-3-methylphenyl]methyl]-3-(4-ethyl-3-pyridinyl)pyridine has a molecular weight of 338.40 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethyl)-3-methylphenyl]methyl]-3-(4-ethyl-3-pyridinyl)pyridine is sourced from PubChem (CID 135246908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).