[5-chloro-2-(3-methyl-2-pyridinyl)phenyl] benzoate

C19H14ClNO2 — CID 132516583

IUPAC[5-chloro-2-(3-methyl-2-pyridinyl)phenyl] benzoate
SMILESCc1cccnc1-c1ccc(Cl)cc1OC(=O)c1ccccc1
InChIInChI=1S/C19H14ClNO2/c1-13-6-5-11-21-18(13)16-10-9-15(20)12-17(16)23-19(22)14-7-3-2-4-8-14/h2-12H,1H3
InChIKeyQLLQBOZYPNBLIC-UHFFFAOYSA-N
MW323.78 g/mol
LogP4.93
Rot. Bonds3

About [5-chloro-2-(3-methyl-2-pyridinyl)phenyl] benzoate

[5-chloro-2-(3-methyl-2-pyridinyl)phenyl] benzoate (PubChem CID 132516583) has the molecular formula C19H14ClNO2 and a molecular weight of 323.78 g/mol. Its IUPAC name is [5-chloro-2-(3-methyl-2-pyridinyl)phenyl] benzoate.

Molecular Properties

Compound Name[5-chloro-2-(3-methyl-2-pyridinyl)phenyl] benzoate
PubChem CID132516583
Molecular FormulaC19H14ClNO2
Molecular Weight323.78 g/mol
Exact Mass323.07
IUPAC Name[5-chloro-2-(3-methyl-2-pyridinyl)phenyl] benzoate
SMILESCc1cccnc1-c1ccc(Cl)cc1OC(=O)c1ccccc1
InChIInChI=1S/C19H14ClNO2/c1-13-6-5-11-21-18(13)16-10-9-15(20)12-17(16)23-19(22)14-7-3-2-4-8-14/h2-12H,1H3
InChIKeyQLLQBOZYPNBLIC-UHFFFAOYSA-N
XLogP4.93
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-chloro-2-methylphenyl) 4-phenylbenzoate
CID 4850627
2-(4-chloro-2-methylphenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 3534391
ethyl 3-(2-benzoyloxy-5-chlorobenzoyl)-3-bromoazirine-2-carboxylate
CID 59264779
3-benzoyloxy-4-phenylbenzoic acid
CID 19859975
[2-[(3-benzoyloxy-2-pyridinyl)disulfanyl]-3-pyridinyl] benzoate
CID 570399
3-O-(2,5-dichlorophenyl) 1-O-ethyl benzene-1,3-dicarboxylate
CID 91727051
(5-benzoyloxy-4-ethyl-2-methylphenyl) benzoate
CID 58788729
[2-(2-benzoyloxy-5-chlorophenyl)-2-oxoethyl]-triphenylphosphanium bromide
CID 56950938
(2-methylphenyl) 2-benzoyloxybenzoate
CID 21306244
(3-benzoyloxy-2-pyridin-2-ylphenyl) benzoate
CID 46187631
(2,4-dichlorophenyl) 3-chlorobenzoate
CID 23011226
5-chloro-2-(3-ethoxybenzoyl)oxybenzoic acid
CID 54855059

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(3-methyl-2-pyridinyl)phenyl] benzoate?
The IUPAC name of [5-chloro-2-(3-methyl-2-pyridinyl)phenyl] benzoate (CID 132516583) is [5-chloro-2-(3-methyl-2-pyridinyl)phenyl] benzoate.
What is the SMILES notation for [5-chloro-2-(3-methyl-2-pyridinyl)phenyl] benzoate?
The canonical SMILES for [5-chloro-2-(3-methyl-2-pyridinyl)phenyl] benzoate is Cc1cccnc1-c1ccc(Cl)cc1OC(=O)c1ccccc1.
What is the InChIKey of [5-chloro-2-(3-methyl-2-pyridinyl)phenyl] benzoate?
The InChIKey is QLLQBOZYPNBLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO2/c1-13-6-5-11-21-18(13)16-10-9-15(20)12-17(16)23-19(22)14-7-3-2-4-8-14/h2-12H,1H3.
What are the key properties of [5-chloro-2-(3-methyl-2-pyridinyl)phenyl] benzoate?
[5-chloro-2-(3-methyl-2-pyridinyl)phenyl] benzoate has a molecular weight of 323.78 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(3-methyl-2-pyridinyl)phenyl] benzoate is sourced from PubChem (CID 132516583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).