2-[(2-chloro-4-pyridinyl)oxy]acetic acid

C7H6ClNO3 — CID 1236684

IUPAC2-[(2-chloro-4-pyridinyl)oxy]acetic acid
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)
InChIKeyVCYOWGCCCOSNOO-UHFFFAOYSA-N
MW187.58 g/mol
LogP1.20
Rot. Bonds3

About 2-[(2-chloro-4-pyridinyl)oxy]acetic acid

2-[(2-chloro-4-pyridinyl)oxy]acetic acid (PubChem CID 1236684) has the molecular formula C7H6ClNO3 and a molecular weight of 187.58 g/mol. Its IUPAC name is 2-[(2-chloro-4-pyridinyl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-4-pyridinyl)oxy]acetic acid
PubChem CID1236684
Molecular FormulaC7H6ClNO3
Molecular Weight187.58 g/mol
Exact Mass187.00
IUPAC Name2-[(2-chloro-4-pyridinyl)oxy]acetic acid
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)
InChIKeyVCYOWGCCCOSNOO-UHFFFAOYSA-N
XLogP1.20
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.58
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-pyridinyl)oxy]acetic acid?
The IUPAC name of 2-[(2-chloro-4-pyridinyl)oxy]acetic acid (CID 1236684) is 2-[(2-chloro-4-pyridinyl)oxy]acetic acid.
What is the SMILES notation for 2-[(2-chloro-4-pyridinyl)oxy]acetic acid?
The canonical SMILES for 2-[(2-chloro-4-pyridinyl)oxy]acetic acid is O=C(O)COc1ccnc(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-pyridinyl)oxy]acetic acid?
The InChIKey is VCYOWGCCCOSNOO-UHFFFAOYSA-N. 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).
What are the key properties of 2-[(2-chloro-4-pyridinyl)oxy]acetic acid?
2-[(2-chloro-4-pyridinyl)oxy]acetic acid has a molecular weight of 187.58 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-pyridinyl)oxy]acetic acid is sourced from PubChem (CID 1236684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).