methyl 2-[5-(2,6-dimethylphenyl)-3-pyridinyl]acetate

C16H17NO2 — CID 143365947

IUPACmethyl 2-[5-(2,6-dimethylphenyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cncc(-c2c(C)cccc2C)c1
InChIInChI=1S/C16H17NO2/c1-11-5-4-6-12(2)16(11)14-7-13(9-17-10-14)8-15(18)19-3/h4-7,9-10H,8H2,1-3H3
InChIKeyDHTXIWOFAYPLEQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.08
Rot. Bonds3

About methyl 2-[5-(2,6-dimethylphenyl)-3-pyridinyl]acetate

methyl 2-[5-(2,6-dimethylphenyl)-3-pyridinyl]acetate (PubChem CID 143365947) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is methyl 2-[5-(2,6-dimethylphenyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(2,6-dimethylphenyl)-3-pyridinyl]acetate
PubChem CID143365947
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namemethyl 2-[5-(2,6-dimethylphenyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cncc(-c2c(C)cccc2C)c1
InChIInChI=1S/C16H17NO2/c1-11-5-4-6-12(2)16(11)14-7-13(9-17-10-14)8-15(18)19-3/h4-7,9-10H,8H2,1-3H3
InChIKeyDHTXIWOFAYPLEQ-UHFFFAOYSA-N
XLogP3.08
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[5-(2-phenylethyl)-3-pyridinyl]acetate
CID 177349061
methyl 2-(5-chloro-3-pyridinyl)acetate
CID 91594815
methyl 2-[4-(2,4,6-trimethylphenyl)phenyl]acetate
CID 143366295
methyl 2-(5-propan-2-yl-3-pyridinyl)acetate
CID 20824070
methyl 3-amino-3-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]propanoate
CID 175085515
3-(2,6-dimethylphenyl)-5-methylpyridine
CID 146182914
benzyl (3R)-3-amino-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoate;ethane
CID 153352746
methyl 2-[5-[4-[3-[4-[(E)-2-(1-hydroxycyclopropyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate
CID 150611890
formamide;methyl 2-(3-phenylphenyl)acetate
CID 169199106
(3R)-3-amino-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoic acid
CID 139580030
2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanamide;methyl 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoate;molecular hydrogen
CID 153352679
methyl 2-[5-[4-[3-[4-(3-ethyl-3-hydroxypent-1-ynyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate
CID 57443542

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(2,6-dimethylphenyl)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-(2,6-dimethylphenyl)-3-pyridinyl]acetate (CID 143365947) is methyl 2-[5-(2,6-dimethylphenyl)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-(2,6-dimethylphenyl)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-(2,6-dimethylphenyl)-3-pyridinyl]acetate is COC(=O)Cc1cncc(-c2c(C)cccc2C)c1.
What is the InChIKey of methyl 2-[5-(2,6-dimethylphenyl)-3-pyridinyl]acetate?
The InChIKey is DHTXIWOFAYPLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-5-4-6-12(2)16(11)14-7-13(9-17-10-14)8-15(18)19-3/h4-7,9-10H,8H2,1-3H3.
What are the key properties of methyl 2-[5-(2,6-dimethylphenyl)-3-pyridinyl]acetate?
methyl 2-[5-(2,6-dimethylphenyl)-3-pyridinyl]acetate has a molecular weight of 255.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(2,6-dimethylphenyl)-3-pyridinyl]acetate is sourced from PubChem (CID 143365947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).