methyl 3-hydroxy-4-(6-methyl-2-pyridinyl)benzoate

C14H13NO3 — CID 145449122

IUPACmethyl 3-hydroxy-4-(6-methyl-2-pyridinyl)benzoate
SMILESCOC(=O)c1ccc(-c2cccc(C)n2)c(O)c1
InChIInChI=1S/C14H13NO3/c1-9-4-3-5-12(15-9)11-7-6-10(8-13(11)16)14(17)18-2/h3-8,16H,1-2H3
InChIKeyZERNFVIKWULQAW-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.55
Rot. Bonds2

About methyl 3-hydroxy-4-(6-methyl-2-pyridinyl)benzoate

methyl 3-hydroxy-4-(6-methyl-2-pyridinyl)benzoate (PubChem CID 145449122) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 3-hydroxy-4-(6-methyl-2-pyridinyl)benzoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-4-(6-methyl-2-pyridinyl)benzoate
PubChem CID145449122
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 3-hydroxy-4-(6-methyl-2-pyridinyl)benzoate
SMILESCOC(=O)c1ccc(-c2cccc(C)n2)c(O)c1
InChIInChI=1S/C14H13NO3/c1-9-4-3-5-12(15-9)11-7-6-10(8-13(11)16)14(17)18-2/h3-8,16H,1-2H3
InChIKeyZERNFVIKWULQAW-UHFFFAOYSA-N
XLogP2.55
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-4-(6-methyl-2-pyridinyl)benzoate?
The IUPAC name of methyl 3-hydroxy-4-(6-methyl-2-pyridinyl)benzoate (CID 145449122) is methyl 3-hydroxy-4-(6-methyl-2-pyridinyl)benzoate.
What is the SMILES notation for methyl 3-hydroxy-4-(6-methyl-2-pyridinyl)benzoate?
The canonical SMILES for methyl 3-hydroxy-4-(6-methyl-2-pyridinyl)benzoate is COC(=O)c1ccc(-c2cccc(C)n2)c(O)c1.
What is the InChIKey of methyl 3-hydroxy-4-(6-methyl-2-pyridinyl)benzoate?
The InChIKey is ZERNFVIKWULQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-9-4-3-5-12(15-9)11-7-6-10(8-13(11)16)14(17)18-2/h3-8,16H,1-2H3.
What are the key properties of methyl 3-hydroxy-4-(6-methyl-2-pyridinyl)benzoate?
methyl 3-hydroxy-4-(6-methyl-2-pyridinyl)benzoate has a molecular weight of 243.26 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-4-(6-methyl-2-pyridinyl)benzoate is sourced from PubChem (CID 145449122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).