benzyl pyridine-3-carboxylate;2-hydroxybenzoic acid

C20H17NO5 — CID 162157539

IUPACbenzyl pyridine-3-carboxylate;2-hydroxybenzoic acid
SMILESO=C(O)c1ccccc1O.O=C(OCc1ccccc1)c1cccnc1
InChIInChI=1S/C13H11NO2.C7H6O3/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11;8-6-4-2-1-3-5(6)7(9)10/h1-9H,10H2;1-4,8H,(H,9,10)
InChIKeyZMAKJLAJAXRTJH-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.53
Rot. Bonds4

About benzyl pyridine-3-carboxylate;2-hydroxybenzoic acid

benzyl pyridine-3-carboxylate;2-hydroxybenzoic acid (PubChem CID 162157539) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is benzyl pyridine-3-carboxylate;2-hydroxybenzoic acid.

Molecular Properties

Compound Namebenzyl pyridine-3-carboxylate;2-hydroxybenzoic acid
PubChem CID162157539
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Namebenzyl pyridine-3-carboxylate;2-hydroxybenzoic acid
SMILESO=C(O)c1ccccc1O.O=C(OCc1ccccc1)c1cccnc1
InChIInChI=1S/C13H11NO2.C7H6O3/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11;8-6-4-2-1-3-5(6)7(9)10/h1-9H,10H2;1-4,8H,(H,9,10)
InChIKeyZMAKJLAJAXRTJH-UHFFFAOYSA-N
XLogP3.53
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213
(4-phenylphenyl)methyl pyridine-3-carboxylate
CID 9414004
benzyl pyridine-3-carboxylate;ethyl 2-aminobenzoate
CID 157354656
(E)-but-2-enedioic acid;pyridin-3-ylmethyl pyridine-3-carboxylate
CID 53249666
benzyl pyridine-3-carboxylate;ethyl 4-aminobenzoate
CID 174833774
dibenzyl pyridine-3,5-dicarboxylate
CID 71230133
[4-(2-oxo-2-phenacyloxyethyl)phenyl]methyl pyridine-3-carboxylate
CID 141114966
(3-chlorophenyl)methyl pyridine-3-carboxylate
CID 3463930
benzyl benzoate
CID 2345
2,5-dihydroxybenzoic acid;bis(methyl pyridine-3-carboxylate)
CID 139146294
CID 51031907
CID 51031907
benzyl N-(1-pyridin-3-ylethenyl)carbamate
CID 11851043

Frequently Asked Questions

What is the IUPAC name of benzyl pyridine-3-carboxylate;2-hydroxybenzoic acid?
The IUPAC name of benzyl pyridine-3-carboxylate;2-hydroxybenzoic acid (CID 162157539) is benzyl pyridine-3-carboxylate;2-hydroxybenzoic acid.
What is the SMILES notation for benzyl pyridine-3-carboxylate;2-hydroxybenzoic acid?
The canonical SMILES for benzyl pyridine-3-carboxylate;2-hydroxybenzoic acid is O=C(O)c1ccccc1O.O=C(OCc1ccccc1)c1cccnc1.
What is the InChIKey of benzyl pyridine-3-carboxylate;2-hydroxybenzoic acid?
The InChIKey is ZMAKJLAJAXRTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2.C7H6O3/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11;8-6-4-2-1-3-5(6)7(9)10/h1-9H,10H2;1-4,8H,(H,9,10).
What are the key properties of benzyl pyridine-3-carboxylate;2-hydroxybenzoic acid?
benzyl pyridine-3-carboxylate;2-hydroxybenzoic acid has a molecular weight of 351.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl pyridine-3-carboxylate;2-hydroxybenzoic acid is sourced from PubChem (CID 162157539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).