methyl 2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetate

C19H17NO3 — CID 25034349

IUPACmethyl 2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cncc(-c2ccc3cc(OC)ccc3c2)c1
InChIInChI=1S/C19H17NO3/c1-22-18-6-5-14-9-15(3-4-16(14)10-18)17-7-13(11-20-12-17)8-19(21)23-2/h3-7,9-12H,8H2,1-2H3
InChIKeyNJYSPTKLOLAHQY-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.63
Rot. Bonds4

About methyl 2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetate

methyl 2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetate (PubChem CID 25034349) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetate
PubChem CID25034349
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Namemethyl 2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cncc(-c2ccc3cc(OC)ccc3c2)c1
InChIInChI=1S/C19H17NO3/c1-22-18-6-5-14-9-15(3-4-16(14)10-18)17-7-13(11-20-12-17)8-19(21)23-2/h3-7,9-12H,8H2,1-2H3
InChIKeyNJYSPTKLOLAHQY-UHFFFAOYSA-N
XLogP3.63
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetate (CID 25034349) is methyl 2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetate is COC(=O)Cc1cncc(-c2ccc3cc(OC)ccc3c2)c1.
What is the InChIKey of methyl 2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetate?
The InChIKey is NJYSPTKLOLAHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-22-18-6-5-14-9-15(3-4-16(14)10-18)17-7-13(11-20-12-17)8-19(21)23-2/h3-7,9-12H,8H2,1-2H3.
What are the key properties of methyl 2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetate?
methyl 2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetate has a molecular weight of 307.35 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetate is sourced from PubChem (CID 25034349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).