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

C15H15ClN2O4 — CID 175549631

IUPACmethyl 5-(2-chloro-4-pyridinyl)-2-ethoxy-3-methoxypyridine-4-carboxylate
SMILESCCOc1ncc(-c2ccnc(Cl)c2)c(C(=O)OC)c1OC
InChIInChI=1S/C15H15ClN2O4/c1-4-22-14-13(20-2)12(15(19)21-3)10(8-18-14)9-5-6-17-11(16)7-9/h5-8H,4H2,1-3H3
InChIKeyHJDCLMXGFGEUGI-UHFFFAOYSA-N
MW322.75 g/mol
LogP2.99
Rot. Bonds5

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

methyl 5-(2-chloro-4-pyridinyl)-2-ethoxy-3-methoxypyridine-4-carboxylate (PubChem CID 175549631) has the molecular formula C15H15ClN2O4 and a molecular weight of 322.75 g/mol. Its IUPAC name is methyl 5-(2-chloro-4-pyridinyl)-2-ethoxy-3-methoxypyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-chloro-4-pyridinyl)-2-ethoxy-3-methoxypyridine-4-carboxylate
PubChem CID175549631
Molecular FormulaC15H15ClN2O4
Molecular Weight322.75 g/mol
Exact Mass322.07
IUPAC Namemethyl 5-(2-chloro-4-pyridinyl)-2-ethoxy-3-methoxypyridine-4-carboxylate
SMILESCCOc1ncc(-c2ccnc(Cl)c2)c(C(=O)OC)c1OC
InChIInChI=1S/C15H15ClN2O4/c1-4-22-14-13(20-2)12(15(19)21-3)10(8-18-14)9-5-6-17-11(16)7-9/h5-8H,4H2,1-3H3
InChIKeyHJDCLMXGFGEUGI-UHFFFAOYSA-N
XLogP2.99
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(2-chloro-4-pyridinyl)-5-methoxypyridine-4-carboxylate
CID 175549620
dimethyl 1-(2-chloro-4-pyridinyl)-6-ethoxy-7-methoxynaphthalene-2,3-dicarboxylate
CID 10788729
dimethyl 1-chloro-6-ethoxy-7-methoxy-4-pyridin-4-ylnaphthalene-2,3-dicarboxylate
CID 140974219
methyl 4-(2-chloro-4-pyridinyl)-6-cyclopropyl-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 87726986
5-(chloromethyl)-2-ethoxy-3-(2-ethoxy-4-pyridinyl)pyridine
CID 118654823
2-chloro-4-(3,4,5-trimethoxyphenyl)pyridine
CID 18674967
dimethyl 6,7-diethoxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate
CID 15224775
2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine
CID 164891716
4-(2-chloro-4-pyridinyl)-6-cyclopentyl-5-methoxypyridine-3-carboxylic acid
CID 175549625
ethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate
CID 46317910
methyl 4-[(2-chloro-4-pyridinyl)carbamoylamino]pyridine-2-carboxylate
CID 168979744
ethyl 2-methoxy-5-pyridin-4-ylpyridine-4-carboxylate
CID 46317912

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-chloro-4-pyridinyl)-2-ethoxy-3-methoxypyridine-4-carboxylate?
The IUPAC name of methyl 5-(2-chloro-4-pyridinyl)-2-ethoxy-3-methoxypyridine-4-carboxylate (CID 175549631) is methyl 5-(2-chloro-4-pyridinyl)-2-ethoxy-3-methoxypyridine-4-carboxylate.
What is the SMILES notation for methyl 5-(2-chloro-4-pyridinyl)-2-ethoxy-3-methoxypyridine-4-carboxylate?
The canonical SMILES for methyl 5-(2-chloro-4-pyridinyl)-2-ethoxy-3-methoxypyridine-4-carboxylate is CCOc1ncc(-c2ccnc(Cl)c2)c(C(=O)OC)c1OC.
What is the InChIKey of methyl 5-(2-chloro-4-pyridinyl)-2-ethoxy-3-methoxypyridine-4-carboxylate?
The InChIKey is HJDCLMXGFGEUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4/c1-4-22-14-13(20-2)12(15(19)21-3)10(8-18-14)9-5-6-17-11(16)7-9/h5-8H,4H2,1-3H3.
What are the key properties of methyl 5-(2-chloro-4-pyridinyl)-2-ethoxy-3-methoxypyridine-4-carboxylate?
methyl 5-(2-chloro-4-pyridinyl)-2-ethoxy-3-methoxypyridine-4-carboxylate has a molecular weight of 322.75 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-chloro-4-pyridinyl)-2-ethoxy-3-methoxypyridine-4-carboxylate is sourced from PubChem (CID 175549631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).