pyridin-2-yl 3,4-dimethoxybenzoate

C14H13NO4 — CID 35206042

IUPACpyridin-2-yl 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccccn2)cc1OC
InChIInChI=1S/C14H13NO4/c1-17-11-7-6-10(9-12(11)18-2)14(16)19-13-5-3-4-8-15-13/h3-9H,1-2H3
InChIKeyJYLBXVWUNRTGSA-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.32
Rot. Bonds4

About pyridin-2-yl 3,4-dimethoxybenzoate

pyridin-2-yl 3,4-dimethoxybenzoate (PubChem CID 35206042) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is pyridin-2-yl 3,4-dimethoxybenzoate.

Molecular Properties

Compound Namepyridin-2-yl 3,4-dimethoxybenzoate
PubChem CID35206042
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Namepyridin-2-yl 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccccn2)cc1OC
InChIInChI=1S/C14H13NO4/c1-17-11-7-6-10(9-12(11)18-2)14(16)19-13-5-3-4-8-15-13/h3-9H,1-2H3
InChIKeyJYLBXVWUNRTGSA-UHFFFAOYSA-N
XLogP2.32
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chlorophenyl) 3,4-dimethoxybenzoate
CID 19181520
(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 3,4-dimethoxybenzoate
CID 110494726
[4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 144750223
methyl 4-methoxy-3-pyridin-2-ylbenzoate
CID 70840507
[3-chloro-4-(3,4-dimethoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 994063
dibenzofuran-2-yl 3,4-dimethoxybenzoate
CID 4003499
3,4-dimethoxybenzoic acid;methanol
CID 144580050
(3,4-dimethylphenyl) 3,4-dimethoxybenzoate
CID 723808
(2-aminobenzoyl) 3,4-dimethoxybenzoate
CID 122177181
(3,4-dimethoxyphenyl)-pyrazol-1-ylmethanone
CID 5058351
1-(3,4-dimethoxyphenyl)-2-pyridin-2-ylsulfanylpropan-1-one
CID 60603755
N-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide
CID 162738459

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl 3,4-dimethoxybenzoate?
The IUPAC name of pyridin-2-yl 3,4-dimethoxybenzoate (CID 35206042) is pyridin-2-yl 3,4-dimethoxybenzoate.
What is the SMILES notation for pyridin-2-yl 3,4-dimethoxybenzoate?
The canonical SMILES for pyridin-2-yl 3,4-dimethoxybenzoate is COc1ccc(C(=O)Oc2ccccn2)cc1OC.
What is the InChIKey of pyridin-2-yl 3,4-dimethoxybenzoate?
The InChIKey is JYLBXVWUNRTGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-17-11-7-6-10(9-12(11)18-2)14(16)19-13-5-3-4-8-15-13/h3-9H,1-2H3.
What are the key properties of pyridin-2-yl 3,4-dimethoxybenzoate?
pyridin-2-yl 3,4-dimethoxybenzoate has a molecular weight of 259.26 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl 3,4-dimethoxybenzoate is sourced from PubChem (CID 35206042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).