ethyl 3-chloro-5-methoxypyridine-4-carboxylate

C9H10ClNO3 — CID 167741284

IUPACethyl 3-chloro-5-methoxypyridine-4-carboxylate
SMILESCCOC(=O)c1c(Cl)cncc1OC
InChIInChI=1S/C9H10ClNO3/c1-3-14-9(12)8-6(10)4-11-5-7(8)13-2/h4-5H,3H2,1-2H3
InChIKeyGFXBFBBJXGAJKE-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.92
Rot. Bonds3

About ethyl 3-chloro-5-methoxypyridine-4-carboxylate

ethyl 3-chloro-5-methoxypyridine-4-carboxylate (PubChem CID 167741284) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is ethyl 3-chloro-5-methoxypyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-chloro-5-methoxypyridine-4-carboxylate
PubChem CID167741284
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Nameethyl 3-chloro-5-methoxypyridine-4-carboxylate
SMILESCCOC(=O)c1c(Cl)cncc1OC
InChIInChI=1S/C9H10ClNO3/c1-3-14-9(12)8-6(10)4-11-5-7(8)13-2/h4-5H,3H2,1-2H3
InChIKeyGFXBFBBJXGAJKE-UHFFFAOYSA-N
XLogP1.92
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-5-methoxypyridine-4-carboxylate?
The IUPAC name of ethyl 3-chloro-5-methoxypyridine-4-carboxylate (CID 167741284) is ethyl 3-chloro-5-methoxypyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-chloro-5-methoxypyridine-4-carboxylate?
The canonical SMILES for ethyl 3-chloro-5-methoxypyridine-4-carboxylate is CCOC(=O)c1c(Cl)cncc1OC.
What is the InChIKey of ethyl 3-chloro-5-methoxypyridine-4-carboxylate?
The InChIKey is GFXBFBBJXGAJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-3-14-9(12)8-6(10)4-11-5-7(8)13-2/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 3-chloro-5-methoxypyridine-4-carboxylate?
ethyl 3-chloro-5-methoxypyridine-4-carboxylate has a molecular weight of 215.64 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chloro-5-methoxypyridine-4-carboxylate is sourced from PubChem (CID 167741284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).