3-pyridin-2-ylbenzoate

C12H8NO2- — CID 7020368

IUPAC3-pyridin-2-ylbenzoate
SMILESO=C([O-])c1cccc(-c2ccccn2)c1
InChIInChI=1S/C12H9NO2/c14-12(15)10-5-3-4-9(8-10)11-6-1-2-7-13-11/h1-8H,(H,14,15)/p-1
InChIKeyIRXFQXMHMRTLIR-UHFFFAOYSA-M
MW198.20 g/mol
LogP1.11
Rot. Bonds2

About 3-pyridin-2-ylbenzoate

3-pyridin-2-ylbenzoate (PubChem CID 7020368) has the molecular formula C12H8NO2- and a molecular weight of 198.20 g/mol. Its IUPAC name is 3-pyridin-2-ylbenzoate.

Molecular Properties

Compound Name3-pyridin-2-ylbenzoate
PubChem CID7020368
Molecular FormulaC12H8NO2-
Molecular Weight198.20 g/mol
Exact Mass198.06
IUPAC Name3-pyridin-2-ylbenzoate
SMILESO=C([O-])c1cccc(-c2ccccn2)c1
InChIInChI=1S/C12H9NO2/c14-12(15)10-5-3-4-9(8-10)11-6-1-2-7-13-11/h1-8H,(H,14,15)/p-1
InChIKeyIRXFQXMHMRTLIR-UHFFFAOYSA-M
XLogP1.11
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tetrakis(3-[6-(3-carboxylatophenyl)-2-pyridinyl]benzoate);tetrakis(molybdenum(3+));bis(oxygen(2-))
CID 139115032
4-[2-(3-methylphenyl)-6-pyridin-2-yl-4-pyridinyl]benzoate
CID 102480222
copper;bis(3-methoxybenzoate);2-pyridin-2-ylpyridine;hydrate
CID 139080745
(E)-3-(3-pyridin-2-ylphenyl)but-2-enoic acid
CID 82544253
2-phenylpyridine;propan-2-one
CID 174845023
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
6-(5-carboxylato-2-pyridinyl)pyridine-3-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihydrochloride
CID 154729977
2-pyridin-2-yl-3H-benzimidazole-5-carboxylate
CID 7044978
2-[3-[(2E)-5-methylhexa-2,4-dien-3-yl]phenyl]pyridine
CID 155016895
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)-2-pyridinyl]pyridine
CID 130326866
CID 88529992
CID 88529992

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-ylbenzoate?
The IUPAC name of 3-pyridin-2-ylbenzoate (CID 7020368) is 3-pyridin-2-ylbenzoate.
What is the SMILES notation for 3-pyridin-2-ylbenzoate?
The canonical SMILES for 3-pyridin-2-ylbenzoate is O=C([O-])c1cccc(-c2ccccn2)c1.
What is the InChIKey of 3-pyridin-2-ylbenzoate?
The InChIKey is IRXFQXMHMRTLIR-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H9NO2/c14-12(15)10-5-3-4-9(8-10)11-6-1-2-7-13-11/h1-8H,(H,14,15)/p-1.
What are the key properties of 3-pyridin-2-ylbenzoate?
3-pyridin-2-ylbenzoate has a molecular weight of 198.20 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-ylbenzoate is sourced from PubChem (CID 7020368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).