pyridin-2-ylmethyl 2,4,5-trimethoxybenzoate

C16H17NO5 — CID 43008926

IUPACpyridin-2-ylmethyl 2,4,5-trimethoxybenzoate
SMILESCOc1cc(OC)c(C(=O)OCc2ccccn2)cc1OC
InChIInChI=1S/C16H17NO5/c1-19-13-9-15(21-3)14(20-2)8-12(13)16(18)22-10-11-6-4-5-7-17-11/h4-9H,10H2,1-3H3
InChIKeyLVHBAXOTWXSKKE-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.46
Rot. Bonds6

About pyridin-2-ylmethyl 2,4,5-trimethoxybenzoate

pyridin-2-ylmethyl 2,4,5-trimethoxybenzoate (PubChem CID 43008926) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is pyridin-2-ylmethyl 2,4,5-trimethoxybenzoate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 2,4,5-trimethoxybenzoate
PubChem CID43008926
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Namepyridin-2-ylmethyl 2,4,5-trimethoxybenzoate
SMILESCOc1cc(OC)c(C(=O)OCc2ccccn2)cc1OC
InChIInChI=1S/C16H17NO5/c1-19-13-9-15(21-3)14(20-2)8-12(13)16(18)22-10-11-6-4-5-7-17-11/h4-9H,10H2,1-3H3
InChIKeyLVHBAXOTWXSKKE-UHFFFAOYSA-N
XLogP2.46
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

pyridin-2-ylmethyl 4-chloro-2-methoxybenzoate
CID 60598324
1-O-methyl 2-O-(pyridin-2-ylmethyl) benzene-1,2-dicarboxylate
CID 56504965
pyridin-2-ylmethyl 5-ethoxy-4-methoxy-2-nitrobenzoate
CID 38123406
pyridin-2-ylmethyl 2-hydroxybenzoate
CID 43053918
pyridin-2-ylmethyl 7-methoxy-2-methylquinoline-3-carboxylate
CID 18139891
pyridin-2-ylmethyl 4-chloro-2-hydroxybenzoate
CID 43054090
(4-methylphenyl)methyl 2,4,5-trimethoxybenzoate
CID 2438152
pyridin-2-ylmethyl 7-methoxy-1-methylbenzimidazole-5-carboxylate
CID 175838596
pyridin-2-ylmethyl 2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate
CID 46391480
methyl 5-methylsulfonyl-2-(pyridin-2-ylmethoxy)benzoate
CID 23503179
(4-methoxycarbonylphenyl)methyl 2,4,5-trimethoxybenzoate
CID 2488136
2,5-dimethoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110763244

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 2,4,5-trimethoxybenzoate?
The IUPAC name of pyridin-2-ylmethyl 2,4,5-trimethoxybenzoate (CID 43008926) is pyridin-2-ylmethyl 2,4,5-trimethoxybenzoate.
What is the SMILES notation for pyridin-2-ylmethyl 2,4,5-trimethoxybenzoate?
The canonical SMILES for pyridin-2-ylmethyl 2,4,5-trimethoxybenzoate is COc1cc(OC)c(C(=O)OCc2ccccn2)cc1OC.
What is the InChIKey of pyridin-2-ylmethyl 2,4,5-trimethoxybenzoate?
The InChIKey is LVHBAXOTWXSKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-19-13-9-15(21-3)14(20-2)8-12(13)16(18)22-10-11-6-4-5-7-17-11/h4-9H,10H2,1-3H3.
What are the key properties of pyridin-2-ylmethyl 2,4,5-trimethoxybenzoate?
pyridin-2-ylmethyl 2,4,5-trimethoxybenzoate has a molecular weight of 303.31 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 2,4,5-trimethoxybenzoate is sourced from PubChem (CID 43008926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).