(2-ethylphenyl) 6-methoxypyridine-3-carboxylate

C15H15NO3 — CID 78826820

IUPAC(2-ethylphenyl) 6-methoxypyridine-3-carboxylate
SMILESCCc1ccccc1OC(=O)c1ccc(OC)nc1
InChIInChI=1S/C15H15NO3/c1-3-11-6-4-5-7-13(11)19-15(17)12-8-9-14(18-2)16-10-12/h4-10H,3H2,1-2H3
InChIKeyTUOMZEIPPRCTBW-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.87
Rot. Bonds4

About (2-ethylphenyl) 6-methoxypyridine-3-carboxylate

(2-ethylphenyl) 6-methoxypyridine-3-carboxylate (PubChem CID 78826820) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2-ethylphenyl) 6-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Name(2-ethylphenyl) 6-methoxypyridine-3-carboxylate
PubChem CID78826820
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name(2-ethylphenyl) 6-methoxypyridine-3-carboxylate
SMILESCCc1ccccc1OC(=O)c1ccc(OC)nc1
InChIInChI=1S/C15H15NO3/c1-3-11-6-4-5-7-13(11)19-15(17)12-8-9-14(18-2)16-10-12/h4-10H,3H2,1-2H3
InChIKeyTUOMZEIPPRCTBW-UHFFFAOYSA-N
XLogP2.87
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate
CID 158477481
N-[2-(2-ethylanilino)-2-oxoethyl]-6-methoxypyridine-3-carboxamide
CID 24531875
N-[[2-(diethylaminomethyl)phenyl]methyl]-6-methoxypyridine-3-carboxamide
CID 24532719
[2-(diethylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate
CID 55443956
6-ethoxy-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 46488664
ethane;1-(6-methoxy-3-pyridinyl)ethanone
CID 142833845
6-methoxypyridine-3-carboxylate
CID 7060527
(2-ethylphenyl) methyl carbonate
CID 67179071
1-(6-methoxy-3-pyridinyl)-3-phenylprop-2-yn-1-one
CID 67015597
N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 62390689
(2-ethylphenyl) 10-methylacridin-10-ium-9-carboxylate
CID 102474340
bis(2-ethylphenyl) 2,2-dimethylpropanedioate
CID 91723973

Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl) 6-methoxypyridine-3-carboxylate?
The IUPAC name of (2-ethylphenyl) 6-methoxypyridine-3-carboxylate (CID 78826820) is (2-ethylphenyl) 6-methoxypyridine-3-carboxylate.
What is the SMILES notation for (2-ethylphenyl) 6-methoxypyridine-3-carboxylate?
The canonical SMILES for (2-ethylphenyl) 6-methoxypyridine-3-carboxylate is CCc1ccccc1OC(=O)c1ccc(OC)nc1.
What is the InChIKey of (2-ethylphenyl) 6-methoxypyridine-3-carboxylate?
The InChIKey is TUOMZEIPPRCTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-3-11-6-4-5-7-13(11)19-15(17)12-8-9-14(18-2)16-10-12/h4-10H,3H2,1-2H3.
What are the key properties of (2-ethylphenyl) 6-methoxypyridine-3-carboxylate?
(2-ethylphenyl) 6-methoxypyridine-3-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl) 6-methoxypyridine-3-carboxylate is sourced from PubChem (CID 78826820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).