methyl 2-(2-methoxypyridine-3-carbonyl)benzoate

C15H13NO4 — CID 24723742

IUPACmethyl 2-(2-methoxypyridine-3-carbonyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)c1cccnc1OC
InChIInChI=1S/C15H13NO4/c1-19-14-12(8-5-9-16-14)13(17)10-6-3-4-7-11(10)15(18)20-2/h3-9H,1-2H3
InChIKeyQKOGXMPAENSDPH-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.11
Rot. Bonds4

About methyl 2-(2-methoxypyridine-3-carbonyl)benzoate

methyl 2-(2-methoxypyridine-3-carbonyl)benzoate (PubChem CID 24723742) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is methyl 2-(2-methoxypyridine-3-carbonyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-methoxypyridine-3-carbonyl)benzoate
PubChem CID24723742
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Namemethyl 2-(2-methoxypyridine-3-carbonyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)c1cccnc1OC
InChIInChI=1S/C15H13NO4/c1-19-14-12(8-5-9-16-14)13(17)10-6-3-4-7-11(10)15(18)20-2/h3-9H,1-2H3
InChIKeyQKOGXMPAENSDPH-UHFFFAOYSA-N
XLogP2.11
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2-methoxypyridine-3-carbonyl)benzoate
CID 24723743
(2-methoxy-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
CID 105098109
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-methylpyridine-3-carboxylate
CID 7015327
(3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone
CID 115605036
(2-methoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methanone
CID 62876172
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
methyl 2-(2-aminobenzoyl)benzoate
CID 83381352
CID 87392386
CID 87392386
(2-methoxy-3-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709642
N-(2-bromophenyl)-2-methoxypyridine-3-carboxamide
CID 55023834

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxypyridine-3-carbonyl)benzoate?
The IUPAC name of methyl 2-(2-methoxypyridine-3-carbonyl)benzoate (CID 24723742) is methyl 2-(2-methoxypyridine-3-carbonyl)benzoate.
What is the SMILES notation for methyl 2-(2-methoxypyridine-3-carbonyl)benzoate?
The canonical SMILES for methyl 2-(2-methoxypyridine-3-carbonyl)benzoate is COC(=O)c1ccccc1C(=O)c1cccnc1OC.
What is the InChIKey of methyl 2-(2-methoxypyridine-3-carbonyl)benzoate?
The InChIKey is QKOGXMPAENSDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-19-14-12(8-5-9-16-14)13(17)10-6-3-4-7-11(10)15(18)20-2/h3-9H,1-2H3.
What are the key properties of methyl 2-(2-methoxypyridine-3-carbonyl)benzoate?
methyl 2-(2-methoxypyridine-3-carbonyl)benzoate has a molecular weight of 271.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxypyridine-3-carbonyl)benzoate is sourced from PubChem (CID 24723742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).