methyl 3-(2-chloro-4-pyridinyl)-5-methoxypyridine-4-carboxylate

C13H11ClN2O3 — CID 175549620

IUPACmethyl 3-(2-chloro-4-pyridinyl)-5-methoxypyridine-4-carboxylate
SMILESCOC(=O)c1c(OC)cncc1-c1ccnc(Cl)c1
InChIInChI=1S/C13H11ClN2O3/c1-18-10-7-15-6-9(12(10)13(17)19-2)8-3-4-16-11(14)5-8/h3-7H,1-2H3
InChIKeyPHCYGYWNUGHXCX-UHFFFAOYSA-N
MW278.70 g/mol
LogP2.59
Rot. Bonds3

About methyl 3-(2-chloro-4-pyridinyl)-5-methoxypyridine-4-carboxylate

methyl 3-(2-chloro-4-pyridinyl)-5-methoxypyridine-4-carboxylate (PubChem CID 175549620) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is methyl 3-(2-chloro-4-pyridinyl)-5-methoxypyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-chloro-4-pyridinyl)-5-methoxypyridine-4-carboxylate
PubChem CID175549620
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Namemethyl 3-(2-chloro-4-pyridinyl)-5-methoxypyridine-4-carboxylate
SMILESCOC(=O)c1c(OC)cncc1-c1ccnc(Cl)c1
InChIInChI=1S/C13H11ClN2O3/c1-18-10-7-15-6-9(12(10)13(17)19-2)8-3-4-16-11(14)5-8/h3-7H,1-2H3
InChIKeyPHCYGYWNUGHXCX-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
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 5-(2-chloro-4-pyridinyl)-2-ethoxy-3-methoxypyridine-4-carboxylate
CID 175549631
dimethyl 1-(2-chloro-4-pyridinyl)-6-ethoxy-7-methoxynaphthalene-2,3-dicarboxylate
CID 10788729
2-chloro-4-(3,4,5-trimethoxyphenyl)pyridine
CID 18674967
dimethyl 1-chloro-6-ethoxy-7-methoxy-4-pyridin-4-ylnaphthalene-2,3-dicarboxylate
CID 140974219
methyl 2-amino-4-methoxypyridine-3-carboxylate
CID 131557944
methyl 3,5-bis(2,3,4,5,6-pentachlorophenyl)pyridine-4-carboxylate
CID 134634790
methyl 6-(aminomethyl)-2-chloro-4-(3-methoxy-4-pyridinyl)pyridine-3-carboxylate
CID 171486910
methyl 4-[(2-chloro-4-pyridinyl)carbamoylamino]pyridine-2-carboxylate
CID 168979744
methyl 4-(2-chloro-4-pyridinyl)-6-cyclopropyl-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 87726986
2-chloro-4-methoxy-5-pyridin-3-ylpyridine
CID 175166261
methyl 3-chloro-2-pyridin-4-ylpyridine-4-carboxylate
CID 46317559
methyl 2-[(2-chloro-4-pyridinyl)oxy]benzoate
CID 86634716

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-chloro-4-pyridinyl)-5-methoxypyridine-4-carboxylate?
The IUPAC name of methyl 3-(2-chloro-4-pyridinyl)-5-methoxypyridine-4-carboxylate (CID 175549620) is methyl 3-(2-chloro-4-pyridinyl)-5-methoxypyridine-4-carboxylate.
What is the SMILES notation for methyl 3-(2-chloro-4-pyridinyl)-5-methoxypyridine-4-carboxylate?
The canonical SMILES for methyl 3-(2-chloro-4-pyridinyl)-5-methoxypyridine-4-carboxylate is COC(=O)c1c(OC)cncc1-c1ccnc(Cl)c1.
What is the InChIKey of methyl 3-(2-chloro-4-pyridinyl)-5-methoxypyridine-4-carboxylate?
The InChIKey is PHCYGYWNUGHXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-18-10-7-15-6-9(12(10)13(17)19-2)8-3-4-16-11(14)5-8/h3-7H,1-2H3.
What are the key properties of methyl 3-(2-chloro-4-pyridinyl)-5-methoxypyridine-4-carboxylate?
methyl 3-(2-chloro-4-pyridinyl)-5-methoxypyridine-4-carboxylate has a molecular weight of 278.70 g/mol, XLogP of 2.59, 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)-5-methoxypyridine-4-carboxylate is sourced from PubChem (CID 175549620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).