2,4-dimethoxypyridine;toluene

C14H17NO2 — CID 174791067

IUPAC2,4-dimethoxypyridine;toluene
SMILESCOc1ccnc(OC)c1.Cc1ccccc1
InChIInChI=1S/C7H9NO2.C7H8/c1-9-6-3-4-8-7(5-6)10-2;1-7-5-3-2-4-6-7/h3-5H,1-2H3;2-6H,1H3
InChIKeyYBSMOVHBKKVZFQ-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.09
Rot. Bonds2

About 2,4-dimethoxypyridine;toluene

2,4-dimethoxypyridine;toluene (PubChem CID 174791067) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2,4-dimethoxypyridine;toluene.

Molecular Properties

Compound Name2,4-dimethoxypyridine;toluene
PubChem CID174791067
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2,4-dimethoxypyridine;toluene
SMILESCOc1ccnc(OC)c1.Cc1ccccc1
InChIInChI=1S/C7H9NO2.C7H8/c1-9-6-3-4-8-7(5-6)10-2;1-7-5-3-2-4-6-7/h3-5H,1-2H3;2-6H,1H3
InChIKeyYBSMOVHBKKVZFQ-UHFFFAOYSA-N
XLogP3.09
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)methoxy]-4-phenylmethoxypyridine
CID 67304946
2-methoxy-4-[(4-methoxyphenyl)methoxy]pyridine
CID 70697685
2-butoxy-4-methoxypyridine
CID 151566668
anisole;ethane;methoxymethane;toluene
CID 91157363
anisole;ethane;methane;toluene
CID 162203446
6-methoxy-1,3-benzothiazole;toluene
CID 70544898
5-methoxypyrimidine;toluene
CID 174259808
4-methoxy-2-(2-phenylpropan-2-yl)pyridine
CID 132599217
2-methoxypyridine
CID 71774587
2-methoxy-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine
CID 70661167
CID 88855620
CID 88855620
(2-methoxy-4-pyridinyl)methylazanium
CID 25323729

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxypyridine;toluene?
The IUPAC name of 2,4-dimethoxypyridine;toluene (CID 174791067) is 2,4-dimethoxypyridine;toluene.
What is the SMILES notation for 2,4-dimethoxypyridine;toluene?
The canonical SMILES for 2,4-dimethoxypyridine;toluene is COc1ccnc(OC)c1.Cc1ccccc1.
What is the InChIKey of 2,4-dimethoxypyridine;toluene?
The InChIKey is YBSMOVHBKKVZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2.C7H8/c1-9-6-3-4-8-7(5-6)10-2;1-7-5-3-2-4-6-7/h3-5H,1-2H3;2-6H,1H3.
What are the key properties of 2,4-dimethoxypyridine;toluene?
2,4-dimethoxypyridine;toluene has a molecular weight of 231.29 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxypyridine;toluene is sourced from PubChem (CID 174791067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).