ethyl 4-(5-hydroxy-2-pyridinyl)benzoate

C14H13NO3 — CID 53229560

IUPACethyl 4-(5-hydroxy-2-pyridinyl)benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(O)cn2)cc1
InChIInChI=1S/C14H13NO3/c1-2-18-14(17)11-5-3-10(4-6-11)13-8-7-12(16)9-15-13/h3-9,16H,2H2,1H3
InChIKeyHFTSGMBQTDEWEF-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.63
Rot. Bonds3

About ethyl 4-(5-hydroxy-2-pyridinyl)benzoate

ethyl 4-(5-hydroxy-2-pyridinyl)benzoate (PubChem CID 53229560) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is ethyl 4-(5-hydroxy-2-pyridinyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(5-hydroxy-2-pyridinyl)benzoate
PubChem CID53229560
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Nameethyl 4-(5-hydroxy-2-pyridinyl)benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(O)cn2)cc1
InChIInChI=1S/C14H13NO3/c1-2-18-14(17)11-5-3-10(4-6-11)13-8-7-12(16)9-15-13/h3-9,16H,2H2,1H3
InChIKeyHFTSGMBQTDEWEF-UHFFFAOYSA-N
XLogP2.63
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(1H-pyrazol-4-yl)benzoate
CID 121435985
ethyl 4-hydroxybenzoate;bis(4-hydroxybenzoic acid)
CID 162068565
ethyl 4-hydroxybenzoate;propane-1,2,3-triol
CID 158935793
ethyl 4-pyrimidin-5-ylbenzoate
CID 12946641
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-(2-chloropyrimidin-4-yl)benzoate
CID 11065261
ethyl 3-(5-methyl-2-pyridinyl)benzoate
CID 71746517
ethyl 4-(6-chloropyrimidin-4-yl)benzoate
CID 24902046
ethyl 4-[2-(4-propan-2-ylphenyl)pyrimidin-4-yl]benzoate
CID 69230482
ethyl 4-(4-hydroxyphenyl)sulfanylbenzoate
CID 91879838
ethyl 4-(4-trimethylsilylphenyl)benzoate
CID 162408252

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-hydroxy-2-pyridinyl)benzoate?
The IUPAC name of ethyl 4-(5-hydroxy-2-pyridinyl)benzoate (CID 53229560) is ethyl 4-(5-hydroxy-2-pyridinyl)benzoate.
What is the SMILES notation for ethyl 4-(5-hydroxy-2-pyridinyl)benzoate?
The canonical SMILES for ethyl 4-(5-hydroxy-2-pyridinyl)benzoate is CCOC(=O)c1ccc(-c2ccc(O)cn2)cc1.
What is the InChIKey of ethyl 4-(5-hydroxy-2-pyridinyl)benzoate?
The InChIKey is HFTSGMBQTDEWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-2-18-14(17)11-5-3-10(4-6-11)13-8-7-12(16)9-15-13/h3-9,16H,2H2,1H3.
What are the key properties of ethyl 4-(5-hydroxy-2-pyridinyl)benzoate?
ethyl 4-(5-hydroxy-2-pyridinyl)benzoate has a molecular weight of 243.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-hydroxy-2-pyridinyl)benzoate is sourced from PubChem (CID 53229560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).