(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

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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).