methyl 3-(3-hydroxy-2-pyridinyl)benzoate;hydrochloride

C13H12ClNO3 — CID 155973106

IUPACmethyl 3-(3-hydroxy-2-pyridinyl)benzoate;hydrochloride
SMILESCOC(=O)c1cccc(-c2ncccc2O)c1.Cl
InChIInChI=1S/C13H11NO3.ClH/c1-17-13(16)10-5-2-4-9(8-10)12-11(15)6-3-7-14-12;/h2-8,15H,1H3;1H
InChIKeyGGASMWYDVMJPQZ-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.66
Rot. Bonds2

About methyl 3-(3-hydroxy-2-pyridinyl)benzoate;hydrochloride

methyl 3-(3-hydroxy-2-pyridinyl)benzoate;hydrochloride (PubChem CID 155973106) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is methyl 3-(3-hydroxy-2-pyridinyl)benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(3-hydroxy-2-pyridinyl)benzoate;hydrochloride
PubChem CID155973106
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Namemethyl 3-(3-hydroxy-2-pyridinyl)benzoate;hydrochloride
SMILESCOC(=O)c1cccc(-c2ncccc2O)c1.Cl
InChIInChI=1S/C13H11NO3.ClH/c1-17-13(16)10-5-2-4-9(8-10)12-11(15)6-3-7-14-12;/h2-8,15H,1H3;1H
InChIKeyGGASMWYDVMJPQZ-UHFFFAOYSA-N
XLogP2.66
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-hydroxy-2-pyridinyl)benzoate;hydrochloride?
The IUPAC name of methyl 3-(3-hydroxy-2-pyridinyl)benzoate;hydrochloride (CID 155973106) is methyl 3-(3-hydroxy-2-pyridinyl)benzoate;hydrochloride.
What is the SMILES notation for methyl 3-(3-hydroxy-2-pyridinyl)benzoate;hydrochloride?
The canonical SMILES for methyl 3-(3-hydroxy-2-pyridinyl)benzoate;hydrochloride is COC(=O)c1cccc(-c2ncccc2O)c1.Cl.
What is the InChIKey of methyl 3-(3-hydroxy-2-pyridinyl)benzoate;hydrochloride?
The InChIKey is GGASMWYDVMJPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3.ClH/c1-17-13(16)10-5-2-4-9(8-10)12-11(15)6-3-7-14-12;/h2-8,15H,1H3;1H.
What are the key properties of methyl 3-(3-hydroxy-2-pyridinyl)benzoate;hydrochloride?
methyl 3-(3-hydroxy-2-pyridinyl)benzoate;hydrochloride has a molecular weight of 265.70 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-hydroxy-2-pyridinyl)benzoate;hydrochloride is sourced from PubChem (CID 155973106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).