methyl 2-[(2-chloro-4-pyridinyl)oxy]benzoate

C13H10ClNO3 — CID 86634716

IUPACmethyl 2-[(2-chloro-4-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1ccccc1Oc1ccnc(Cl)c1
InChIInChI=1S/C13H10ClNO3/c1-17-13(16)10-4-2-3-5-11(10)18-9-6-7-15-12(14)8-9/h2-8H,1H3
InChIKeyQPGWSHBWXXVEPG-UHFFFAOYSA-N
MW263.68 g/mol
LogP3.31
Rot. Bonds3

About methyl 2-[(2-chloro-4-pyridinyl)oxy]benzoate

methyl 2-[(2-chloro-4-pyridinyl)oxy]benzoate (PubChem CID 86634716) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is methyl 2-[(2-chloro-4-pyridinyl)oxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-4-pyridinyl)oxy]benzoate
PubChem CID86634716
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Namemethyl 2-[(2-chloro-4-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1ccccc1Oc1ccnc(Cl)c1
InChIInChI=1S/C13H10ClNO3/c1-17-13(16)10-4-2-3-5-11(10)18-9-6-7-15-12(14)8-9/h2-8H,1H3
InChIKeyQPGWSHBWXXVEPG-UHFFFAOYSA-N
XLogP3.31
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 53.31
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

methyl 2-(3,5-dichlorophenoxy)benzoate
CID 15036758
2-chloro-4-(2-methoxyphenoxy)pyridine
CID 63777956
methyl 3-[(2-chloro-4-pyridinyl)oxy]-6-methylpyridine-2-carboxylate
CID 72942082
methyl 2-chloro-3-pyridin-4-yloxybenzoate
CID 141188004
2-(2-methoxycarbonylphenoxy)benzoic acid
CID 166513979
2-[2-[(2-chloro-4-pyridinyl)oxy]phenyl]ethanol
CID 107712373
2-chloro-4-(2-prop-1-enylphenoxy)pyridine
CID 77005915
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-[3-[(2-chloro-4-pyridinyl)oxy]-4-fluorophenyl]acetate
CID 88964578
ethane;methyl 2-methoxybenzoate
CID 178037044
3-methoxy-2-[2-[(4-phenoxy-2-pyridinyl)oxy]phenyl]but-2-enoic acid
CID 66619986
dimethyl 2-phenoxybenzene-1,4-dicarboxylate
CID 23436153

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-4-pyridinyl)oxy]benzoate?
The IUPAC name of methyl 2-[(2-chloro-4-pyridinyl)oxy]benzoate (CID 86634716) is methyl 2-[(2-chloro-4-pyridinyl)oxy]benzoate.
What is the SMILES notation for methyl 2-[(2-chloro-4-pyridinyl)oxy]benzoate?
The canonical SMILES for methyl 2-[(2-chloro-4-pyridinyl)oxy]benzoate is COC(=O)c1ccccc1Oc1ccnc(Cl)c1.
What is the InChIKey of methyl 2-[(2-chloro-4-pyridinyl)oxy]benzoate?
The InChIKey is QPGWSHBWXXVEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c1-17-13(16)10-4-2-3-5-11(10)18-9-6-7-15-12(14)8-9/h2-8H,1H3.
What are the key properties of methyl 2-[(2-chloro-4-pyridinyl)oxy]benzoate?
methyl 2-[(2-chloro-4-pyridinyl)oxy]benzoate has a molecular weight of 263.68 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloro-4-pyridinyl)oxy]benzoate is sourced from PubChem (CID 86634716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).