methyl 4-amino-3-chloro-6-(2-fluoroethyl)pyridine-2-carboxylate

C9H10ClFN2O2 — CID 118125612

IUPACmethyl 4-amino-3-chloro-6-(2-fluoroethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(CCF)cc(N)c1Cl
InChIInChI=1S/C9H10ClFN2O2/c1-15-9(14)8-7(10)6(12)4-5(13-8)2-3-11/h4H,2-3H2,1H3,(H2,12,13)
InChIKeyJTDLVKGRXLMZJK-UHFFFAOYSA-N
MW232.64 g/mol
LogP1.62
Rot. Bonds3

About methyl 4-amino-3-chloro-6-(2-fluoroethyl)pyridine-2-carboxylate

methyl 4-amino-3-chloro-6-(2-fluoroethyl)pyridine-2-carboxylate (PubChem CID 118125612) has the molecular formula C9H10ClFN2O2 and a molecular weight of 232.64 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-(2-fluoroethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-(2-fluoroethyl)pyridine-2-carboxylate
PubChem CID118125612
Molecular FormulaC9H10ClFN2O2
Molecular Weight232.64 g/mol
Exact Mass232.04
IUPAC Namemethyl 4-amino-3-chloro-6-(2-fluoroethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(CCF)cc(N)c1Cl
InChIInChI=1S/C9H10ClFN2O2/c1-15-9(14)8-7(10)6(12)4-5(13-8)2-3-11/h4H,2-3H2,1H3,(H2,12,13)
InChIKeyJTDLVKGRXLMZJK-UHFFFAOYSA-N
XLogP1.62
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-amino-3-chloro-6-(2-fluoroethyl)pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-6-(2-fluoroethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-(2-fluoroethyl)pyridine-2-carboxylate (CID 118125612) is methyl 4-amino-3-chloro-6-(2-fluoroethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-(2-fluoroethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-(2-fluoroethyl)pyridine-2-carboxylate is COC(=O)c1nc(CCF)cc(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-6-(2-fluoroethyl)pyridine-2-carboxylate?
The InChIKey is JTDLVKGRXLMZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O2/c1-15-9(14)8-7(10)6(12)4-5(13-8)2-3-11/h4H,2-3H2,1H3,(H2,12,13).
What are the key properties of methyl 4-amino-3-chloro-6-(2-fluoroethyl)pyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-(2-fluoroethyl)pyridine-2-carboxylate has a molecular weight of 232.64 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-6-(2-fluoroethyl)pyridine-2-carboxylate is sourced from PubChem (CID 118125612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).