methyl 3-[(2-chloro-4-pyridinyl)oxy]-6-methylpyridine-2-carboxylate

C13H11ClN2O3 — CID 72942082

IUPACmethyl 3-[(2-chloro-4-pyridinyl)oxy]-6-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(C)ccc1Oc1ccnc(Cl)c1
InChIInChI=1S/C13H11ClN2O3/c1-8-3-4-10(12(16-8)13(17)18-2)19-9-5-6-15-11(14)7-9/h3-7H,1-2H3
InChIKeyKDMRUBIYWJYLBB-UHFFFAOYSA-N
MW278.70 g/mol
LogP3.02
Rot. Bonds3

About methyl 3-[(2-chloro-4-pyridinyl)oxy]-6-methylpyridine-2-carboxylate

methyl 3-[(2-chloro-4-pyridinyl)oxy]-6-methylpyridine-2-carboxylate (PubChem CID 72942082) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is methyl 3-[(2-chloro-4-pyridinyl)oxy]-6-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-chloro-4-pyridinyl)oxy]-6-methylpyridine-2-carboxylate
PubChem CID72942082
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Namemethyl 3-[(2-chloro-4-pyridinyl)oxy]-6-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(C)ccc1Oc1ccnc(Cl)c1
InChIInChI=1S/C13H11ClN2O3/c1-8-3-4-10(12(16-8)13(17)18-2)19-9-5-6-15-11(14)7-9/h3-7H,1-2H3
InChIKeyKDMRUBIYWJYLBB-UHFFFAOYSA-N
XLogP3.02
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-chloro-4-pyridinyl)oxy]benzoate
CID 86634716
methyl 3-carboxyoxy-6-methylpyridine-2-carboxylate
CID 67797440
2-chloro-4-(2-methoxyphenoxy)pyridine
CID 63777956
methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate
CID 145241727
1-[3-chloro-4-[(2-chloro-4-pyridinyl)oxy]phenyl]propan-2-one
CID 118200456
methyl 2-[3-[(2-chloro-4-pyridinyl)oxy]-4-fluorophenyl]acetate
CID 88964578
methyl 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylate
CID 172732856
methyl 3-chloro-4-methoxy-6-methylpyridine-2-carboxylate
CID 142574242
ethyl 5-[(2-chloro-4-pyridinyl)oxy]-2-methylbenzoate
CID 171634888
3-[(2-chloro-4-pyridinyl)oxy]-4-methoxycyclobut-3-ene-1,2-dione
CID 118603804
N-[5-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-pyridinyl]-3-(2-methoxyethyl)-2-oxoimidazolidine-1-carboxamide
CID 90426033
tert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate
CID 91109215

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-chloro-4-pyridinyl)oxy]-6-methylpyridine-2-carboxylate?
The IUPAC name of methyl 3-[(2-chloro-4-pyridinyl)oxy]-6-methylpyridine-2-carboxylate (CID 72942082) is methyl 3-[(2-chloro-4-pyridinyl)oxy]-6-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-chloro-4-pyridinyl)oxy]-6-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 3-[(2-chloro-4-pyridinyl)oxy]-6-methylpyridine-2-carboxylate is COC(=O)c1nc(C)ccc1Oc1ccnc(Cl)c1.
What is the InChIKey of methyl 3-[(2-chloro-4-pyridinyl)oxy]-6-methylpyridine-2-carboxylate?
The InChIKey is KDMRUBIYWJYLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-8-3-4-10(12(16-8)13(17)18-2)19-9-5-6-15-11(14)7-9/h3-7H,1-2H3.
What are the key properties of methyl 3-[(2-chloro-4-pyridinyl)oxy]-6-methylpyridine-2-carboxylate?
methyl 3-[(2-chloro-4-pyridinyl)oxy]-6-methylpyridine-2-carboxylate has a molecular weight of 278.70 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-chloro-4-pyridinyl)oxy]-6-methylpyridine-2-carboxylate is sourced from PubChem (CID 72942082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).