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

C7H5ClNO3- — CID 40540609

IUPAC2-[(2-chloro-4-pyridinyl)oxy]acetate
SMILESO=C([O-])COc1ccnc(Cl)c1
InChIInChI=1S/C7H6ClNO3/c8-6-3-5(1-2-9-6)12-4-7(10)11/h1-3H,4H2,(H,10,11)/p-1
InChIKeyVCYOWGCCCOSNOO-UHFFFAOYSA-M
MW186.57 g/mol
LogP-0.14
Rot. Bonds3

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

2-[(2-chloro-4-pyridinyl)oxy]acetate (PubChem CID 40540609) has the molecular formula C7H5ClNO3- and a molecular weight of 186.57 g/mol. Its IUPAC name is 2-[(2-chloro-4-pyridinyl)oxy]acetate.

Molecular Properties

Compound Name2-[(2-chloro-4-pyridinyl)oxy]acetate
PubChem CID40540609
Molecular FormulaC7H5ClNO3-
Molecular Weight186.57 g/mol
Exact Mass186.00
IUPAC Name2-[(2-chloro-4-pyridinyl)oxy]acetate
SMILESO=C([O-])COc1ccnc(Cl)c1
InChIInChI=1S/C7H6ClNO3/c8-6-3-5(1-2-9-6)12-4-7(10)11/h1-3H,4H2,(H,10,11)/p-1
InChIKeyVCYOWGCCCOSNOO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-4-methoxypyridine
CID 1991128
4-Acetoxypyridine
CID 311756
2-((5-Chloropyridin-2-yl)oxy)acetic acid
CID 1201021
2-Methyl-2-(pyridin-4-yloxy)propanoic acid
CID 16098333
2-Chloro-4-(trifluoromethoxy)pyridine
CID 49871752
2-Chloro-4-(2,2,2-trifluoroethoxy)pyridine
CID 51358479
2-Chloro-3-iodo-4-methoxypyridine
CID 58053127
2-Chloro-4-[(1-methylpiperidin-4-yl)oxy]pyridine
CID 58483104
2-Chloro-5-fluoro-4-methoxypyridine
CID 75355412
2-Chloro-3-fluoro-4-methoxypyridine
CID 87659274
Lvnllvrvkuyosv-uhfffaoysa-
CID 12624118
4-Pyridylacrylate
CID 59502623

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-pyridinyl)oxy]acetate?
The IUPAC name of 2-[(2-chloro-4-pyridinyl)oxy]acetate (CID 40540609) is 2-[(2-chloro-4-pyridinyl)oxy]acetate.
What is the SMILES notation for 2-[(2-chloro-4-pyridinyl)oxy]acetate?
The canonical SMILES for 2-[(2-chloro-4-pyridinyl)oxy]acetate is O=C([O-])COc1ccnc(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-pyridinyl)oxy]acetate?
The InChIKey is VCYOWGCCCOSNOO-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6ClNO3/c8-6-3-5(1-2-9-6)12-4-7(10)11/h1-3H,4H2,(H,10,11)/p-1.
What are the key properties of 2-[(2-chloro-4-pyridinyl)oxy]acetate?
2-[(2-chloro-4-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-[(2-chloro-4-pyridinyl)oxy]acetate is sourced from PubChem (CID 40540609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).