methyl 4-[(6-chloro-2-pyridinyl)oxymethyl]benzoate

C14H12ClNO3 — CID 156540912

IUPACmethyl 4-[(6-chloro-2-pyridinyl)oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COc2cccc(Cl)n2)cc1
InChIInChI=1S/C14H12ClNO3/c1-18-14(17)11-7-5-10(6-8-11)9-19-13-4-2-3-12(15)16-13/h2-8H,9H2,1H3
InChIKeyZUBVXZAFYHSPCJ-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.10
Rot. Bonds4

About methyl 4-[(6-chloro-2-pyridinyl)oxymethyl]benzoate

methyl 4-[(6-chloro-2-pyridinyl)oxymethyl]benzoate (PubChem CID 156540912) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is methyl 4-[(6-chloro-2-pyridinyl)oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(6-chloro-2-pyridinyl)oxymethyl]benzoate
PubChem CID156540912
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Namemethyl 4-[(6-chloro-2-pyridinyl)oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COc2cccc(Cl)n2)cc1
InChIInChI=1S/C14H12ClNO3/c1-18-14(17)11-7-5-10(6-8-11)9-19-13-4-2-3-12(15)16-13/h2-8H,9H2,1H3
InChIKeyZUBVXZAFYHSPCJ-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
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 4-[(4-chloro-2-methylphenoxy)methyl]benzoate
CID 28825626
methyl 6-[(4-phenylphenyl)methoxy]pyridine-3-carboxylate
CID 18508353
methyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate
CID 58748868
2-chloro-6-[2-(2-methoxyethoxy)ethoxy]pyridine
CID 104561399
methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205
methyl 4-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167799
methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate
CID 58368225
methyl 4-(carbonochloridoyloxymethyl)benzoate
CID 54328192
methyl 4-[(chloroamino)oxymethyl]benzoate
CID 88567653
methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 23631878
methyl 4-[(3,6-dichloro-2-pyridinyl)methoxy]benzoate
CID 59756933
methyl 4-[(6,8-dichloroquinazolin-4-yl)oxymethyl]benzoate
CID 2426065

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6-chloro-2-pyridinyl)oxymethyl]benzoate?
The IUPAC name of methyl 4-[(6-chloro-2-pyridinyl)oxymethyl]benzoate (CID 156540912) is methyl 4-[(6-chloro-2-pyridinyl)oxymethyl]benzoate.
What is the SMILES notation for methyl 4-[(6-chloro-2-pyridinyl)oxymethyl]benzoate?
The canonical SMILES for methyl 4-[(6-chloro-2-pyridinyl)oxymethyl]benzoate is COC(=O)c1ccc(COc2cccc(Cl)n2)cc1.
What is the InChIKey of methyl 4-[(6-chloro-2-pyridinyl)oxymethyl]benzoate?
The InChIKey is ZUBVXZAFYHSPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-18-14(17)11-7-5-10(6-8-11)9-19-13-4-2-3-12(15)16-13/h2-8H,9H2,1H3.
What are the key properties of methyl 4-[(6-chloro-2-pyridinyl)oxymethyl]benzoate?
methyl 4-[(6-chloro-2-pyridinyl)oxymethyl]benzoate has a molecular weight of 277.71 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6-chloro-2-pyridinyl)oxymethyl]benzoate is sourced from PubChem (CID 156540912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).