2-[(4-chloro-2-pyridinyl)oxy]acetate

C7H5ClNO3- — CID 6946402

IUPAC2-[(4-chloro-2-pyridinyl)oxy]acetate
SMILESO=C([O-])COc1cc(Cl)ccn1
InChIInChI=1S/C7H6ClNO3/c8-5-1-2-9-6(3-5)12-4-7(10)11/h1-3H,4H2,(H,10,11)/p-1
InChIKeyIFZAKRCXVXAFBU-UHFFFAOYSA-M
MW186.57 g/mol
LogP-0.14
Rot. Bonds3

About 2-[(4-chloro-2-pyridinyl)oxy]acetate

2-[(4-chloro-2-pyridinyl)oxy]acetate (PubChem CID 6946402) has the molecular formula C7H5ClNO3- and a molecular weight of 186.57 g/mol. Its IUPAC name is 2-[(4-chloro-2-pyridinyl)oxy]acetate.

Molecular Properties

Compound Name2-[(4-chloro-2-pyridinyl)oxy]acetate
PubChem CID6946402
Molecular FormulaC7H5ClNO3-
Molecular Weight186.57 g/mol
Exact Mass186.00
IUPAC Name2-[(4-chloro-2-pyridinyl)oxy]acetate
SMILESO=C([O-])COc1cc(Cl)ccn1
InChIInChI=1S/C7H6ClNO3/c8-5-1-2-9-6(3-5)12-4-7(10)11/h1-3H,4H2,(H,10,11)/p-1
InChIKeyIFZAKRCXVXAFBU-UHFFFAOYSA-M
XLogP-0.14
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.57
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(2-methoxyethoxy)pyridine
CID 71303293
disodium bis(2-(2,4-dichlorophenoxy)acetate)
CID 66727836
lithium 2-(3-chlorophenoxy)acetate
CID 19205694
azanium 2-(4-chlorophenoxy)acetate
CID 142591022
disodium bis(2-(4-chlorophenoxy)acetate)
CID 141454820
2-[2-[(4-chloro-2-pyridinyl)oxy]ethylamino]ethanol
CID 167077055
[[1-[(4-chloro-2-pyridinyl)oxy]-3-dimethoxyphosphorylpropan-2-ylidene]amino]urea
CID 172861867
4-chloro-2-(cyclobutylmethoxy)pyridine
CID 71303294
2-[5-(4-chloro-2-pyridinyl)-1-hydroxypyrazol-3-yl]oxyacetic acid
CID 174197941
2-quinoxalin-6-yloxyacetate
CID 3520024
1-(4-chloro-2-pyridinyl)propan-2-one
CID 68541993
4-chloropyridine-2-carboxylic acid;dihydrochloride
CID 174449778

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-pyridinyl)oxy]acetate?
The IUPAC name of 2-[(4-chloro-2-pyridinyl)oxy]acetate (CID 6946402) is 2-[(4-chloro-2-pyridinyl)oxy]acetate.
What is the SMILES notation for 2-[(4-chloro-2-pyridinyl)oxy]acetate?
The canonical SMILES for 2-[(4-chloro-2-pyridinyl)oxy]acetate is O=C([O-])COc1cc(Cl)ccn1.
What is the InChIKey of 2-[(4-chloro-2-pyridinyl)oxy]acetate?
The InChIKey is IFZAKRCXVXAFBU-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6ClNO3/c8-5-1-2-9-6(3-5)12-4-7(10)11/h1-3H,4H2,(H,10,11)/p-1.
What are the key properties of 2-[(4-chloro-2-pyridinyl)oxy]acetate?
2-[(4-chloro-2-pyridinyl)oxy]acetate has a molecular weight of 186.57 g/mol, XLogP of -0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-pyridinyl)oxy]acetate is sourced from PubChem (CID 6946402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).