ethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate

C14H14N2O3 — CID 46317910

IUPACethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccncc2)cnc1OC
InChIInChI=1S/C14H14N2O3/c1-3-19-14(17)12-8-11(9-16-13(12)18-2)10-4-6-15-7-5-10/h4-9H,3H2,1-2H3
InChIKeyBWSCKXWDTVYHLT-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.33
Rot. Bonds4

About ethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate

ethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate (PubChem CID 46317910) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is ethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate
PubChem CID46317910
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Nameethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccncc2)cnc1OC
InChIInChI=1S/C14H14N2O3/c1-3-19-14(17)12-8-11(9-16-13(12)18-2)10-4-6-15-7-5-10/h4-9H,3H2,1-2H3
InChIKeyBWSCKXWDTVYHLT-UHFFFAOYSA-N
XLogP2.33
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-methoxy-5-pyridin-4-ylpyridine-4-carboxylate
CID 46317912
(5-ethoxycarbonyl-6-methoxy-3-pyridinyl)boronic acid
CID 170902896
ethyl 7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 12766264
ethyl 3-bromo-2-methoxypyridine-4-carboxylate
CID 46311482
ethyl 2-pyridin-4-yl-4-(pyridin-3-ylmethoxy)benzoate
CID 139890718
ethyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoate
CID 71061208
2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid
CID 46317360
2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid
CID 53222794
ethyl 2-chloro-3-pyridin-4-ylpyridine-4-carboxylate
CID 46317836
ethyl 4-ethoxy-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate
CID 15033192
5-(4-ethoxy-2-methylphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53223715
ethyl 3-propan-2-ylpyridine-4-carboxylate
CID 131699762

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate (CID 46317910) is ethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate is CCOC(=O)c1cc(-c2ccncc2)cnc1OC.
What is the InChIKey of ethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate?
The InChIKey is BWSCKXWDTVYHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-3-19-14(17)12-8-11(9-16-13(12)18-2)10-4-6-15-7-5-10/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate?
ethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate is sourced from PubChem (CID 46317910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).