pyridin-2-yl 2-(2-chloro-4-methylphenoxy)acetate

C14H12ClNO3 — CID 90398341

IUPACpyridin-2-yl 2-(2-chloro-4-methylphenoxy)acetate
SMILESCc1ccc(OCC(=O)Oc2ccccn2)c(Cl)c1
InChIInChI=1S/C14H12ClNO3/c1-10-5-6-12(11(15)8-10)18-9-14(17)19-13-4-2-3-7-16-13/h2-8H,9H2,1H3
InChIKeyAPVYRRPWCGTGPX-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.03
Rot. Bonds4

About pyridin-2-yl 2-(2-chloro-4-methylphenoxy)acetate

pyridin-2-yl 2-(2-chloro-4-methylphenoxy)acetate (PubChem CID 90398341) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is pyridin-2-yl 2-(2-chloro-4-methylphenoxy)acetate.

Molecular Properties

Compound Namepyridin-2-yl 2-(2-chloro-4-methylphenoxy)acetate
PubChem CID90398341
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Namepyridin-2-yl 2-(2-chloro-4-methylphenoxy)acetate
SMILESCc1ccc(OCC(=O)Oc2ccccn2)c(Cl)c1
InChIInChI=1S/C14H12ClNO3/c1-10-5-6-12(11(15)8-10)18-9-14(17)19-13-4-2-3-7-16-13/h2-8H,9H2,1H3
InChIKeyAPVYRRPWCGTGPX-UHFFFAOYSA-N
XLogP3.03
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylphenyl) 2-(4-bromo-2-chlorophenoxy)acetate
CID 23011161
(4-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate
CID 30805310
1-(2-bromophenyl)-2-(2-chloro-4-methylphenoxy)ethanone
CID 62673255
(4-chloro-3-methylphenyl) 2-(2,4-dimethylphenoxy)acetate
CID 19179310
(4-chlorophenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate
CID 30805309
(2,3-dimethylphenyl) 2-(4-bromo-2-chlorophenoxy)acetate
CID 2235068
(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-(2,4-dichlorophenoxy)acetate
CID 110494737
methyl 3-(2-chloro-4-methylphenoxy)-2,2-dimethylpropanoate
CID 79622455
2-(2-chloro-4-methylphenoxy)-1-cyclopentylethanone
CID 104752067
2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone
CID 62671843
2-(2-chloro-4-methylphenoxy)-1-(4-iodophenyl)ethanone
CID 63568169
(4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate
CID 914130

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl 2-(2-chloro-4-methylphenoxy)acetate?
The IUPAC name of pyridin-2-yl 2-(2-chloro-4-methylphenoxy)acetate (CID 90398341) is pyridin-2-yl 2-(2-chloro-4-methylphenoxy)acetate.
What is the SMILES notation for pyridin-2-yl 2-(2-chloro-4-methylphenoxy)acetate?
The canonical SMILES for pyridin-2-yl 2-(2-chloro-4-methylphenoxy)acetate is Cc1ccc(OCC(=O)Oc2ccccn2)c(Cl)c1.
What is the InChIKey of pyridin-2-yl 2-(2-chloro-4-methylphenoxy)acetate?
The InChIKey is APVYRRPWCGTGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-10-5-6-12(11(15)8-10)18-9-14(17)19-13-4-2-3-7-16-13/h2-8H,9H2,1H3.
What are the key properties of pyridin-2-yl 2-(2-chloro-4-methylphenoxy)acetate?
pyridin-2-yl 2-(2-chloro-4-methylphenoxy)acetate has a molecular weight of 277.71 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl 2-(2-chloro-4-methylphenoxy)acetate is sourced from PubChem (CID 90398341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).