(3-methyl-2-pyridin-2-ylphenyl) 3-chlorobenzoate

C19H14ClNO2 — CID 135066629

IUPAC(3-methyl-2-pyridin-2-ylphenyl) 3-chlorobenzoate
SMILESCc1cccc(OC(=O)c2cccc(Cl)c2)c1-c1ccccn1
InChIInChI=1S/C19H14ClNO2/c1-13-6-4-10-17(18(13)16-9-2-3-11-21-16)23-19(22)14-7-5-8-15(20)12-14/h2-12H,1H3
InChIKeyIJBIUMDSPBTSMY-UHFFFAOYSA-N
MW323.78 g/mol
LogP4.93
Rot. Bonds3

About (3-methyl-2-pyridin-2-ylphenyl) 3-chlorobenzoate

(3-methyl-2-pyridin-2-ylphenyl) 3-chlorobenzoate (PubChem CID 135066629) has the molecular formula C19H14ClNO2 and a molecular weight of 323.78 g/mol. Its IUPAC name is (3-methyl-2-pyridin-2-ylphenyl) 3-chlorobenzoate.

Molecular Properties

Compound Name(3-methyl-2-pyridin-2-ylphenyl) 3-chlorobenzoate
PubChem CID135066629
Molecular FormulaC19H14ClNO2
Molecular Weight323.78 g/mol
Exact Mass323.07
IUPAC Name(3-methyl-2-pyridin-2-ylphenyl) 3-chlorobenzoate
SMILESCc1cccc(OC(=O)c2cccc(Cl)c2)c1-c1ccccn1
InChIInChI=1S/C19H14ClNO2/c1-13-6-4-10-17(18(13)16-9-2-3-11-21-16)23-19(22)14-7-5-8-15(20)12-14/h2-12H,1H3
InChIKeyIJBIUMDSPBTSMY-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'}

Analyze (3-methyl-2-pyridin-2-ylphenyl) 3-chlorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyridin-3-yl 3-chlorobenzoate
CID 943638
Methyl 3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]benzoate
CID 44472988
2-{3,5-Dichloro-4-[4-hydroxy-3-(pyridin-2-yl)phenoxy]phenyl}acetic acid
CID 135559141
5-Chloropyridin-3-yl 1-naphthoate
CID 16203908
(2,3,6-Trimethylphenyl) 2-chloropyridine-3-carboxylate
CID 4522249
3-(3-(2-(Benzyloxy)-5-chlorophenyl)pyridin-2-yl)benzoic acid
CID 11235389
3-(4-((R)-3-(4-chloro-2-(pyridin-2-yl)phenoxy)butoxy)-2-methylphenyl)propanoic acid
CID 11247654
3-[4-(5-Chloro-2-phenylmethoxyphenyl)-3-pyridinyl]benzoic acid
CID 11350546
3-(3-(2-(Benzyloxy)-5-chlorophenyl)pyridin-4-yl)benzoic acid
CID 11464169
ethyl 1-(methylnitroso)-3-phenyl-6-[2-(pyridin-2-yl)ethoxy]-1H-indene-2-carboxylate
CID 11553704
Sodium 6-[2-(5-chloro-2-propoxyphenyl)phenyl]pyridine-2-carboxylate
CID 23676882
Sodium 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-3-carboxylate
CID 23684396

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-pyridin-2-ylphenyl) 3-chlorobenzoate?
The IUPAC name of (3-methyl-2-pyridin-2-ylphenyl) 3-chlorobenzoate (CID 135066629) is (3-methyl-2-pyridin-2-ylphenyl) 3-chlorobenzoate.
What is the SMILES notation for (3-methyl-2-pyridin-2-ylphenyl) 3-chlorobenzoate?
The canonical SMILES for (3-methyl-2-pyridin-2-ylphenyl) 3-chlorobenzoate is Cc1cccc(OC(=O)c2cccc(Cl)c2)c1-c1ccccn1.
What is the InChIKey of (3-methyl-2-pyridin-2-ylphenyl) 3-chlorobenzoate?
The InChIKey is IJBIUMDSPBTSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO2/c1-13-6-4-10-17(18(13)16-9-2-3-11-21-16)23-19(22)14-7-5-8-15(20)12-14/h2-12H,1H3.
What are the key properties of (3-methyl-2-pyridin-2-ylphenyl) 3-chlorobenzoate?
(3-methyl-2-pyridin-2-ylphenyl) 3-chlorobenzoate 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 (3-methyl-2-pyridin-2-ylphenyl) 3-chlorobenzoate is sourced from PubChem (CID 135066629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).