methyl 6-[(4-ethenylphenyl)methoxy]pyridine-3-carboxylate

C16H15NO3 — CID 59042084

IUPACmethyl 6-[(4-ethenylphenyl)methoxy]pyridine-3-carboxylate
SMILESC=Cc1ccc(COc2ccc(C(=O)OC)cn2)cc1
InChIInChI=1S/C16H15NO3/c1-3-12-4-6-13(7-5-12)11-20-15-9-8-14(10-17-15)16(18)19-2/h3-10H,1,11H2,2H3
InChIKeyJZSDPADIAWQCTQ-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.09
Rot. Bonds5

About methyl 6-[(4-ethenylphenyl)methoxy]pyridine-3-carboxylate

methyl 6-[(4-ethenylphenyl)methoxy]pyridine-3-carboxylate (PubChem CID 59042084) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 6-[(4-ethenylphenyl)methoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-ethenylphenyl)methoxy]pyridine-3-carboxylate
PubChem CID59042084
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Namemethyl 6-[(4-ethenylphenyl)methoxy]pyridine-3-carboxylate
SMILESC=Cc1ccc(COc2ccc(C(=O)OC)cn2)cc1
InChIInChI=1S/C16H15NO3/c1-3-12-4-6-13(7-5-12)11-20-15-9-8-14(10-17-15)16(18)19-2/h3-10H,1,11H2,2H3
InChIKeyJZSDPADIAWQCTQ-UHFFFAOYSA-N
XLogP3.09
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate
CID 58368225
methyl 6-[(4-phenylphenyl)methoxy]pyridine-3-carboxylate
CID 18508353
methyl 6-(methoxymethoxy)pyridine-3-carboxylate
CID 50896445
methyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate
CID 58748868
(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate
CID 158477481
methyl 6-(3-aminopropoxy)pyridine-3-carboxylate;hydrochloride
CID 166000008
6-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 80632122
methyl 4-[[(1E)-buta-1,3-dienyl]carbamoyloxymethyl]benzoate
CID 101234990
methyl 4-[(6-chloro-2-pyridinyl)oxymethyl]benzoate
CID 156540912
methyl acetate;methyl 4-[3,5-bis[[4-[[3,4-bis[(4-ethenylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]benzoate;icosahydrate
CID 160875940
methyl 6-[4-(2-amino-2-methylpropyl)phenoxy]pyridine-3-carboxylate
CID 70243352
(4-ethenylphenyl)methyl 4-(ethylamino)benzoate
CID 89090655

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-ethenylphenyl)methoxy]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(4-ethenylphenyl)methoxy]pyridine-3-carboxylate (CID 59042084) is methyl 6-[(4-ethenylphenyl)methoxy]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(4-ethenylphenyl)methoxy]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(4-ethenylphenyl)methoxy]pyridine-3-carboxylate is C=Cc1ccc(COc2ccc(C(=O)OC)cn2)cc1.
What is the InChIKey of methyl 6-[(4-ethenylphenyl)methoxy]pyridine-3-carboxylate?
The InChIKey is JZSDPADIAWQCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-3-12-4-6-13(7-5-12)11-20-15-9-8-14(10-17-15)16(18)19-2/h3-10H,1,11H2,2H3.
What are the key properties of methyl 6-[(4-ethenylphenyl)methoxy]pyridine-3-carboxylate?
methyl 6-[(4-ethenylphenyl)methoxy]pyridine-3-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-ethenylphenyl)methoxy]pyridine-3-carboxylate is sourced from PubChem (CID 59042084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).