5-tert-butyl-2-(6-methoxy-3-pyridinyl)pyridine

C15H18N2O — CID 89491323

IUPAC5-tert-butyl-2-(6-methoxy-3-pyridinyl)pyridine
SMILESCOc1ccc(-c2ccc(C(C)(C)C)cn2)cn1
InChIInChI=1S/C15H18N2O/c1-15(2,3)12-6-7-13(16-10-12)11-5-8-14(18-4)17-9-11/h5-10H,1-4H3
InChIKeyQOUDPYAZLALVKK-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.45
Rot. Bonds2

About 5-tert-butyl-2-(6-methoxy-3-pyridinyl)pyridine

5-tert-butyl-2-(6-methoxy-3-pyridinyl)pyridine (PubChem CID 89491323) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-tert-butyl-2-(6-methoxy-3-pyridinyl)pyridine.

Molecular Properties

Compound Name5-tert-butyl-2-(6-methoxy-3-pyridinyl)pyridine
PubChem CID89491323
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name5-tert-butyl-2-(6-methoxy-3-pyridinyl)pyridine
SMILESCOc1ccc(-c2ccc(C(C)(C)C)cn2)cn1
InChIInChI=1S/C15H18N2O/c1-15(2,3)12-6-7-13(16-10-12)11-5-8-14(18-4)17-9-11/h5-10H,1-4H3
InChIKeyQOUDPYAZLALVKK-UHFFFAOYSA-N
XLogP3.45
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-Methoxy-3-pyridin-4-yl-quinoline
CID 11776270
7-(6-Methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486266
Pyridine, 2-(4-ethoxyphenyl)-5-pentyl-
CID 3126242
6-(4-Heptoxyphenyl)-3-pyridinecarbonitrile
CID 3126290
4-(4-Methoxyphenyl)-2-methylpyridine
CID 23371780
2-(2-(3-Methoxyphenyl)ethynyl)-5-methylpyridine
CID 16036762
(1R,2R,4R)-2-[5-(2-methoxy-4-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
CID 122186929
2-(2-Fluorophenyl)-5-[(5-methoxy-3-pyridinyl)methyl]pyridine
CID 145981780
2-methoxy-5-(2-methyl-5-phenyl-1H-pyrrol-1-yl)pyridine
CID 742245
2-(4-Methoxyphenyl)-5-pentylpyridine
CID 2058335
3-(4-Methoxyphenyl)isoquinoline
CID 2752930
4-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 4105676

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(6-methoxy-3-pyridinyl)pyridine?
The IUPAC name of 5-tert-butyl-2-(6-methoxy-3-pyridinyl)pyridine (CID 89491323) is 5-tert-butyl-2-(6-methoxy-3-pyridinyl)pyridine.
What is the SMILES notation for 5-tert-butyl-2-(6-methoxy-3-pyridinyl)pyridine?
The canonical SMILES for 5-tert-butyl-2-(6-methoxy-3-pyridinyl)pyridine is COc1ccc(-c2ccc(C(C)(C)C)cn2)cn1.
What is the InChIKey of 5-tert-butyl-2-(6-methoxy-3-pyridinyl)pyridine?
The InChIKey is QOUDPYAZLALVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-15(2,3)12-6-7-13(16-10-12)11-5-8-14(18-4)17-9-11/h5-10H,1-4H3.
What are the key properties of 5-tert-butyl-2-(6-methoxy-3-pyridinyl)pyridine?
5-tert-butyl-2-(6-methoxy-3-pyridinyl)pyridine has a molecular weight of 242.32 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(6-methoxy-3-pyridinyl)pyridine is sourced from PubChem (CID 89491323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).