2-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]-6-methoxypyridine

C19H19NOS — CID 58242650

IUPAC2-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]-6-methoxypyridine
SMILESCOc1cccc(-c2ccc(Cc3cc(C)ccc3C)s2)n1
InChIInChI=1S/C19H19NOS/c1-13-7-8-14(2)15(11-13)12-16-9-10-18(22-16)17-5-4-6-19(20-17)21-3/h4-11H,12H2,1-3H3
InChIKeyWYEUCIMULDGTPA-UHFFFAOYSA-N
MW309.43 g/mol
LogP5.03
Rot. Bonds4

About 2-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]-6-methoxypyridine

2-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]-6-methoxypyridine (PubChem CID 58242650) has the molecular formula C19H19NOS and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]-6-methoxypyridine.

Molecular Properties

Compound Name2-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]-6-methoxypyridine
PubChem CID58242650
Molecular FormulaC19H19NOS
Molecular Weight309.43 g/mol
Exact Mass309.12
IUPAC Name2-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]-6-methoxypyridine
SMILESCOc1cccc(-c2ccc(Cc3cc(C)ccc3C)s2)n1
InChIInChI=1S/C19H19NOS/c1-13-7-8-14(2)15(11-13)12-16-9-10-18(22-16)17-5-4-6-19(20-17)21-3/h4-11H,12H2,1-3H3
InChIKeyWYEUCIMULDGTPA-UHFFFAOYSA-N
XLogP5.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.43
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]-6-methoxypyridine?
The IUPAC name of 2-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]-6-methoxypyridine (CID 58242650) is 2-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]-6-methoxypyridine.
What is the SMILES notation for 2-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]-6-methoxypyridine?
The canonical SMILES for 2-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]-6-methoxypyridine is COc1cccc(-c2ccc(Cc3cc(C)ccc3C)s2)n1.
What is the InChIKey of 2-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]-6-methoxypyridine?
The InChIKey is WYEUCIMULDGTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NOS/c1-13-7-8-14(2)15(11-13)12-16-9-10-18(22-16)17-5-4-6-19(20-17)21-3/h4-11H,12H2,1-3H3.
What are the key properties of 2-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]-6-methoxypyridine?
2-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]-6-methoxypyridine has a molecular weight of 309.43 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]-6-methoxypyridine is sourced from PubChem (CID 58242650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).