methyl 2-[2-(3-chloro-2-methylphenoxy)-3-pyridinyl]acetate

C15H14ClNO3 — CID 19771885

IUPACmethyl 2-[2-(3-chloro-2-methylphenoxy)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cccnc1Oc1cccc(Cl)c1C
InChIInChI=1S/C15H14ClNO3/c1-10-12(16)6-3-7-13(10)20-15-11(5-4-8-17-15)9-14(18)19-2/h3-8H,9H2,1-2H3
InChIKeyPCIYIGNKJWJTKJ-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.55
Rot. Bonds4

About methyl 2-[2-(3-chloro-2-methylphenoxy)-3-pyridinyl]acetate

methyl 2-[2-(3-chloro-2-methylphenoxy)-3-pyridinyl]acetate (PubChem CID 19771885) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is methyl 2-[2-(3-chloro-2-methylphenoxy)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(3-chloro-2-methylphenoxy)-3-pyridinyl]acetate
PubChem CID19771885
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Namemethyl 2-[2-(3-chloro-2-methylphenoxy)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cccnc1Oc1cccc(Cl)c1C
InChIInChI=1S/C15H14ClNO3/c1-10-12(16)6-3-7-13(10)20-15-11(5-4-8-17-15)9-14(18)19-2/h3-8H,9H2,1-2H3
InChIKeyPCIYIGNKJWJTKJ-UHFFFAOYSA-N
XLogP3.55
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3-chloro-2-methylphenoxy)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[2-(3-chloro-2-methylphenoxy)-3-pyridinyl]acetate (CID 19771885) is methyl 2-[2-(3-chloro-2-methylphenoxy)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[2-(3-chloro-2-methylphenoxy)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[2-(3-chloro-2-methylphenoxy)-3-pyridinyl]acetate is COC(=O)Cc1cccnc1Oc1cccc(Cl)c1C.
What is the InChIKey of methyl 2-[2-(3-chloro-2-methylphenoxy)-3-pyridinyl]acetate?
The InChIKey is PCIYIGNKJWJTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-10-12(16)6-3-7-13(10)20-15-11(5-4-8-17-15)9-14(18)19-2/h3-8H,9H2,1-2H3.
What are the key properties of methyl 2-[2-(3-chloro-2-methylphenoxy)-3-pyridinyl]acetate?
methyl 2-[2-(3-chloro-2-methylphenoxy)-3-pyridinyl]acetate has a molecular weight of 291.73 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3-chloro-2-methylphenoxy)-3-pyridinyl]acetate is sourced from PubChem (CID 19771885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).