ethyl 4-chloro-6-methyl-2-(methylamino)pyridine-3-carboxylate

C10H13ClN2O2 — CID 66930070

IUPACethyl 4-chloro-6-methyl-2-(methylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cl)cc(C)nc1NC
InChIInChI=1S/C10H13ClN2O2/c1-4-15-10(14)8-7(11)5-6(2)13-9(8)12-3/h5H,4H2,1-3H3,(H,12,13)
InChIKeyTZSRNQKZYKMXJE-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.26
Rot. Bonds3

About ethyl 4-chloro-6-methyl-2-(methylamino)pyridine-3-carboxylate

ethyl 4-chloro-6-methyl-2-(methylamino)pyridine-3-carboxylate (PubChem CID 66930070) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is ethyl 4-chloro-6-methyl-2-(methylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-6-methyl-2-(methylamino)pyridine-3-carboxylate
PubChem CID66930070
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Nameethyl 4-chloro-6-methyl-2-(methylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cl)cc(C)nc1NC
InChIInChI=1S/C10H13ClN2O2/c1-4-15-10(14)8-7(11)5-6(2)13-9(8)12-3/h5H,4H2,1-3H3,(H,12,13)
InChIKeyTZSRNQKZYKMXJE-UHFFFAOYSA-N
XLogP2.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-6-methyl-2-(methylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 4-chloro-6-methyl-2-(methylamino)pyridine-3-carboxylate (CID 66930070) is ethyl 4-chloro-6-methyl-2-(methylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-6-methyl-2-(methylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-6-methyl-2-(methylamino)pyridine-3-carboxylate is CCOC(=O)c1c(Cl)cc(C)nc1NC.
What is the InChIKey of ethyl 4-chloro-6-methyl-2-(methylamino)pyridine-3-carboxylate?
The InChIKey is TZSRNQKZYKMXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-4-15-10(14)8-7(11)5-6(2)13-9(8)12-3/h5H,4H2,1-3H3,(H,12,13).
What are the key properties of ethyl 4-chloro-6-methyl-2-(methylamino)pyridine-3-carboxylate?
ethyl 4-chloro-6-methyl-2-(methylamino)pyridine-3-carboxylate has a molecular weight of 228.68 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-6-methyl-2-(methylamino)pyridine-3-carboxylate is sourced from PubChem (CID 66930070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).