methyl 2-chloro-5-(3-hydroxy-2-pyridinyl)benzoate

C13H10ClNO3 — CID 53218200

IUPACmethyl 2-chloro-5-(3-hydroxy-2-pyridinyl)benzoate
SMILESCOC(=O)c1cc(-c2ncccc2O)ccc1Cl
InChIInChI=1S/C13H10ClNO3/c1-18-13(17)9-7-8(4-5-10(9)14)12-11(16)3-2-6-15-12/h2-7,16H,1H3
InChIKeyOTBRLQYBTYRQDJ-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.89
Rot. Bonds2

About methyl 2-chloro-5-(3-hydroxy-2-pyridinyl)benzoate

methyl 2-chloro-5-(3-hydroxy-2-pyridinyl)benzoate (PubChem CID 53218200) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is methyl 2-chloro-5-(3-hydroxy-2-pyridinyl)benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-(3-hydroxy-2-pyridinyl)benzoate
PubChem CID53218200
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Namemethyl 2-chloro-5-(3-hydroxy-2-pyridinyl)benzoate
SMILESCOC(=O)c1cc(-c2ncccc2O)ccc1Cl
InChIInChI=1S/C13H10ClNO3/c1-18-13(17)9-7-8(4-5-10(9)14)12-11(16)3-2-6-15-12/h2-7,16H,1H3
InChIKeyOTBRLQYBTYRQDJ-UHFFFAOYSA-N
XLogP2.89
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-(3-hydroxy-2-pyridinyl)benzoate?
The IUPAC name of methyl 2-chloro-5-(3-hydroxy-2-pyridinyl)benzoate (CID 53218200) is methyl 2-chloro-5-(3-hydroxy-2-pyridinyl)benzoate.
What is the SMILES notation for methyl 2-chloro-5-(3-hydroxy-2-pyridinyl)benzoate?
The canonical SMILES for methyl 2-chloro-5-(3-hydroxy-2-pyridinyl)benzoate is COC(=O)c1cc(-c2ncccc2O)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-(3-hydroxy-2-pyridinyl)benzoate?
The InChIKey is OTBRLQYBTYRQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c1-18-13(17)9-7-8(4-5-10(9)14)12-11(16)3-2-6-15-12/h2-7,16H,1H3.
What are the key properties of methyl 2-chloro-5-(3-hydroxy-2-pyridinyl)benzoate?
methyl 2-chloro-5-(3-hydroxy-2-pyridinyl)benzoate has a molecular weight of 263.68 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-(3-hydroxy-2-pyridinyl)benzoate is sourced from PubChem (CID 53218200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).