methyl 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]acetate

C9H10ClFN2O2 — CID 79734650

IUPACmethyl 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]acetate
SMILESCOC(=O)CN(C)c1ncc(Cl)cc1F
InChIInChI=1S/C9H10ClFN2O2/c1-13(5-8(14)15-2)9-7(11)3-6(10)4-12-9/h3-4H,5H2,1-2H3
InChIKeyDOVOCTQYHXNWGT-UHFFFAOYSA-N
MW232.64 g/mol
LogP1.48
Rot. Bonds3

About methyl 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]acetate

methyl 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]acetate (PubChem CID 79734650) has the molecular formula C9H10ClFN2O2 and a molecular weight of 232.64 g/mol. Its IUPAC name is methyl 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]acetate
PubChem CID79734650
Molecular FormulaC9H10ClFN2O2
Molecular Weight232.64 g/mol
Exact Mass232.04
IUPAC Namemethyl 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]acetate
SMILESCOC(=O)CN(C)c1ncc(Cl)cc1F
InChIInChI=1S/C9H10ClFN2O2/c1-13(5-8(14)15-2)9-7(11)3-6(10)4-12-9/h3-4H,5H2,1-2H3
InChIKeyDOVOCTQYHXNWGT-UHFFFAOYSA-N
XLogP1.48
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]acetate (CID 79734650) is methyl 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]acetate is COC(=O)CN(C)c1ncc(Cl)cc1F.
What is the InChIKey of methyl 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]acetate?
The InChIKey is DOVOCTQYHXNWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O2/c1-13(5-8(14)15-2)9-7(11)3-6(10)4-12-9/h3-4H,5H2,1-2H3.
What are the key properties of methyl 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]acetate?
methyl 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]acetate has a molecular weight of 232.64 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]acetate is sourced from PubChem (CID 79734650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).