2-methyl-5-[(5-methylpyridine-3-carbonyl)oxymethyl]benzoic acid

C16H15NO4 — CID 129153326

IUPAC2-methyl-5-[(5-methylpyridine-3-carbonyl)oxymethyl]benzoic acid
SMILESCc1cncc(C(=O)OCc2ccc(C)c(C(=O)O)c2)c1
InChIInChI=1S/C16H15NO4/c1-10-5-13(8-17-7-10)16(20)21-9-12-4-3-11(2)14(6-12)15(18)19/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyXSOVQABKHOUNCX-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.75
Rot. Bonds4

About 2-methyl-5-[(5-methylpyridine-3-carbonyl)oxymethyl]benzoic acid

2-methyl-5-[(5-methylpyridine-3-carbonyl)oxymethyl]benzoic acid (PubChem CID 129153326) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-methyl-5-[(5-methylpyridine-3-carbonyl)oxymethyl]benzoic acid.

Molecular Properties

Compound Name2-methyl-5-[(5-methylpyridine-3-carbonyl)oxymethyl]benzoic acid
PubChem CID129153326
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-methyl-5-[(5-methylpyridine-3-carbonyl)oxymethyl]benzoic acid
SMILESCc1cncc(C(=O)OCc2ccc(C)c(C(=O)O)c2)c1
InChIInChI=1S/C16H15NO4/c1-10-5-13(8-17-7-10)16(20)21-9-12-4-3-11(2)14(6-12)15(18)19/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyXSOVQABKHOUNCX-UHFFFAOYSA-N
XLogP2.75
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminooxymethyl)-2-methylbenzoic acid
CID 117278599
(5-methyl-3-pyridinyl)methyl 5-amino-2-methylbenzoate
CID 102878370
dibenzyl pyridine-3,5-dicarboxylate
CID 71230133
1,3-thiazol-5-ylmethyl 5-methylpyridine-3-carboxylate
CID 86791542
2-methyl-5-(propan-2-yloxymethyl)benzoic acid
CID 117222052
benzyl 3,5-dimethylbenzoate
CID 54359872
3-chloropropyl 5-methylpyridine-3-carboxylate
CID 150660958
bis(1,3-benzodioxol-5-ylmethyl) pyridine-3,5-dicarboxylate
CID 69355185
[4-[(3,5-dimethylbenzoyl)oxymethyl]phenyl]methyl-[[4-[[[4-[(3,5-dimethylbenzoyl)oxymethyl]phenyl]methylazaniumyl]methyl]phenyl]methyl]azanium
CID 101211856
4-amino-2,5-dimethylbenzoic acid;(4-methylphenyl)methanol;(4-methylphenyl)methyl 4-amino-2,5-dimethylbenzoate
CID 164972526
2-[[4-[(3,5-dimethylbenzoyl)oxymethyl]phenyl]methyl-[(3,5-dimethylphenyl)methyl]carbamoyl]benzoic acid
CID 11578903
5-(chlorosulfonylmethyl)-2-methylbenzoic acid
CID 117374912

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(5-methylpyridine-3-carbonyl)oxymethyl]benzoic acid?
The IUPAC name of 2-methyl-5-[(5-methylpyridine-3-carbonyl)oxymethyl]benzoic acid (CID 129153326) is 2-methyl-5-[(5-methylpyridine-3-carbonyl)oxymethyl]benzoic acid.
What is the SMILES notation for 2-methyl-5-[(5-methylpyridine-3-carbonyl)oxymethyl]benzoic acid?
The canonical SMILES for 2-methyl-5-[(5-methylpyridine-3-carbonyl)oxymethyl]benzoic acid is Cc1cncc(C(=O)OCc2ccc(C)c(C(=O)O)c2)c1.
What is the InChIKey of 2-methyl-5-[(5-methylpyridine-3-carbonyl)oxymethyl]benzoic acid?
The InChIKey is XSOVQABKHOUNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10-5-13(8-17-7-10)16(20)21-9-12-4-3-11(2)14(6-12)15(18)19/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-5-[(5-methylpyridine-3-carbonyl)oxymethyl]benzoic acid?
2-methyl-5-[(5-methylpyridine-3-carbonyl)oxymethyl]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(5-methylpyridine-3-carbonyl)oxymethyl]benzoic acid is sourced from PubChem (CID 129153326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).