2-methyl-6-[3-(2-phenylmethoxyethyl)-2-pyridinyl]pyridine

C20H20N2O — CID 70508215

IUPAC2-methyl-6-[3-(2-phenylmethoxyethyl)-2-pyridinyl]pyridine
SMILESCc1cccc(-c2ncccc2CCOCc2ccccc2)n1
InChIInChI=1S/C20H20N2O/c1-16-7-5-11-19(22-16)20-18(10-6-13-21-20)12-14-23-15-17-8-3-2-4-9-17/h2-11,13H,12,14-15H2,1H3
InChIKeyMFMSHSPGTWQRDD-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.21
Rot. Bonds6

About 2-methyl-6-[3-(2-phenylmethoxyethyl)-2-pyridinyl]pyridine

2-methyl-6-[3-(2-phenylmethoxyethyl)-2-pyridinyl]pyridine (PubChem CID 70508215) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-methyl-6-[3-(2-phenylmethoxyethyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[3-(2-phenylmethoxyethyl)-2-pyridinyl]pyridine
PubChem CID70508215
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name2-methyl-6-[3-(2-phenylmethoxyethyl)-2-pyridinyl]pyridine
SMILESCc1cccc(-c2ncccc2CCOCc2ccccc2)n1
InChIInChI=1S/C20H20N2O/c1-16-7-5-11-19(22-16)20-18(10-6-13-21-20)12-14-23-15-17-8-3-2-4-9-17/h2-11,13H,12,14-15H2,1H3
InChIKeyMFMSHSPGTWQRDD-UHFFFAOYSA-N
XLogP4.21
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 71507589
CID 135072991
CID 135072991
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CID 102306107
ethane;3-propyl-2-pyridin-2-ylpyridine
CID 144702934
2-(2-phenylmethoxyethyl)-1,3-thiazole
CID 131048926
4-chloro-2-(2-phenylmethoxyethyl)pyrimidine
CID 130968906
[3-(2-phenylmethoxyethyl)phenyl]methanol
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4-(6-methyl-2-pyridinyl)-3,7-phenanthroline
CID 168852634
N-[[4-(6-methyl-2-pyridinyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-1-phenylmethanamine
CID 155582297
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine
CID 139880669
2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]-4-phenylbutyl]-2-pyridinyl]pyridine
CID 71277472

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-(2-phenylmethoxyethyl)-2-pyridinyl]pyridine?
The IUPAC name of 2-methyl-6-[3-(2-phenylmethoxyethyl)-2-pyridinyl]pyridine (CID 70508215) is 2-methyl-6-[3-(2-phenylmethoxyethyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 2-methyl-6-[3-(2-phenylmethoxyethyl)-2-pyridinyl]pyridine?
The canonical SMILES for 2-methyl-6-[3-(2-phenylmethoxyethyl)-2-pyridinyl]pyridine is Cc1cccc(-c2ncccc2CCOCc2ccccc2)n1.
What is the InChIKey of 2-methyl-6-[3-(2-phenylmethoxyethyl)-2-pyridinyl]pyridine?
The InChIKey is MFMSHSPGTWQRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-16-7-5-11-19(22-16)20-18(10-6-13-21-20)12-14-23-15-17-8-3-2-4-9-17/h2-11,13H,12,14-15H2,1H3.
What are the key properties of 2-methyl-6-[3-(2-phenylmethoxyethyl)-2-pyridinyl]pyridine?
2-methyl-6-[3-(2-phenylmethoxyethyl)-2-pyridinyl]pyridine has a molecular weight of 304.39 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-(2-phenylmethoxyethyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 70508215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).