(6-methyl-2-pyridinyl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate

C17H18ClNO3 — CID 146132488

IUPAC(6-methyl-2-pyridinyl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate
SMILESCc1cccc(COC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H18ClNO3/c1-12-5-4-6-14(19-12)11-21-16(20)17(2,3)22-15-9-7-13(18)8-10-15/h4-10H,11H2,1-3H3
InChIKeyJBPULWILZJFAHZ-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.94
Rot. Bonds5

About (6-methyl-2-pyridinyl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate

(6-methyl-2-pyridinyl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate (PubChem CID 146132488) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate.

Molecular Properties

Compound Name(6-methyl-2-pyridinyl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate
PubChem CID146132488
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name(6-methyl-2-pyridinyl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate
SMILESCc1cccc(COC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H18ClNO3/c1-12-5-4-6-14(19-12)11-21-16(20)17(2,3)22-15-9-7-13(18)8-10-15/h4-10H,11H2,1-3H3
InChIKeyJBPULWILZJFAHZ-UHFFFAOYSA-N
XLogP3.94
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-methyl-2-pyridinyl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate 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

Pirifibrate
CID 68720
2-[3-(4-Chlorophenoxy)prop-1-yn-1-yl]-6-methylpyridine
CID 11345906
2,6-Bis[3-(4-chlorophenoxy)propyl]pyridine
CID 71606718
Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, (6-((((methylamino)carbonyl)oxy)methyl)-2-pyridinyl)methyl ester
CID 3041830
3-[2-(2,4-Dichlorophenoxy)ethoxy]-2,6-dimethylpyridine
CID 57393480
3-[2-(2,4-Dichlorophenoxy)ethoxy]-2-ethyl-6-methylpyridine
CID 57393481
(3,5,6-Trimethylpyrazin-2-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate
CID 44307418
Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, (6-(hydroxymethyl)-2-pyridinyl)methyl ester, hydrochloride (1:1)
CID 159914
Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, (6-((((methylamino)carbonyl)oxy)methyl)-2-pyridinyl)methyl ester, hydrochloride
CID 3041829
2-Chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(2-methylprop-1-enyl)pyridine
CID 57391815
Tert-butyl 2-((6-chloropyridin-2-yl)oxy)acetate
CID 161417191
[3-chloro-6-[(1S)-1-phenylethoxy]-2-pyridinyl]methyl 2-(2-methoxyphenoxy)acetate
CID 95781076

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-pyridinyl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate?
The IUPAC name of (6-methyl-2-pyridinyl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate (CID 146132488) is (6-methyl-2-pyridinyl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate.
What is the SMILES notation for (6-methyl-2-pyridinyl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate?
The canonical SMILES for (6-methyl-2-pyridinyl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate is Cc1cccc(COC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1.
What is the InChIKey of (6-methyl-2-pyridinyl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate?
The InChIKey is JBPULWILZJFAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-12-5-4-6-14(19-12)11-21-16(20)17(2,3)22-15-9-7-13(18)8-10-15/h4-10H,11H2,1-3H3.
What are the key properties of (6-methyl-2-pyridinyl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate?
(6-methyl-2-pyridinyl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate has a molecular weight of 319.79 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-pyridinyl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate is sourced from PubChem (CID 146132488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).