pyridin-2-ylmethyl 2-hydroxybenzoate

C13H11NO3 — CID 43053918

IUPACpyridin-2-ylmethyl 2-hydroxybenzoate
SMILESO=C(OCc1ccccn1)c1ccccc1O
InChIInChI=1S/C13H11NO3/c15-12-7-2-1-6-11(12)13(16)17-9-10-5-3-4-8-14-10/h1-8,15H,9H2
InChIKeyXGSSAESCCGIFSY-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.14
Rot. Bonds3

About pyridin-2-ylmethyl 2-hydroxybenzoate

pyridin-2-ylmethyl 2-hydroxybenzoate (PubChem CID 43053918) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is pyridin-2-ylmethyl 2-hydroxybenzoate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 2-hydroxybenzoate
PubChem CID43053918
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Namepyridin-2-ylmethyl 2-hydroxybenzoate
SMILESO=C(OCc1ccccn1)c1ccccc1O
InChIInChI=1S/C13H11NO3/c15-12-7-2-1-6-11(12)13(16)17-9-10-5-3-4-8-14-10/h1-8,15H,9H2
InChIKeyXGSSAESCCGIFSY-UHFFFAOYSA-N
XLogP2.14
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-2-ylmethyl 4-chloro-2-hydroxybenzoate
CID 43054090
1-O-methyl 2-O-(pyridin-2-ylmethyl) benzene-1,2-dicarboxylate
CID 56504965
pyridin-2-ylmethyl 2,4,5-trimethoxybenzoate
CID 43008926
pyridin-2-ylmethyl 4-chloro-2-methoxybenzoate
CID 60598324
pyridin-2-ylmethyl 2-methyl-6-phenylpyridine-3-carboxylate
CID 46562340
pyridin-2-ylmethyl 2-aminopropanoate
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pyridin-2-ylmethyl N,N-bis(sulfanyl)carbamate
CID 91115950
pyridin-2-ylmethyl 2-trimethylsilylpropanoate
CID 11962005
pyridin-2-ylmethyl 3,4,5,6,7,8-hexahydro-2H-azonine-9-carboxylate
CID 11108080
2-pyridin-2-ylethyl 2-aminobenzoate
CID 61323549
pyridin-2-ylmethyl 4-(methylsulfanylmethyl)benzoate
CID 86977046
pyridin-2-ylmethyl 1H-indole-2-carboxylate
CID 46558412

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 2-hydroxybenzoate?
The IUPAC name of pyridin-2-ylmethyl 2-hydroxybenzoate (CID 43053918) is pyridin-2-ylmethyl 2-hydroxybenzoate.
What is the SMILES notation for pyridin-2-ylmethyl 2-hydroxybenzoate?
The canonical SMILES for pyridin-2-ylmethyl 2-hydroxybenzoate is O=C(OCc1ccccn1)c1ccccc1O.
What is the InChIKey of pyridin-2-ylmethyl 2-hydroxybenzoate?
The InChIKey is XGSSAESCCGIFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-12-7-2-1-6-11(12)13(16)17-9-10-5-3-4-8-14-10/h1-8,15H,9H2.
What are the key properties of pyridin-2-ylmethyl 2-hydroxybenzoate?
pyridin-2-ylmethyl 2-hydroxybenzoate has a molecular weight of 229.24 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 2-hydroxybenzoate is sourced from PubChem (CID 43053918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).