methyl (2R)-2-[2,2-difluoroethyl(methyl)amino]-2-pyridin-3-ylacetate

C11H14F2N2O2 — CID 97329606

IUPACmethyl (2R)-2-[2,2-difluoroethyl(methyl)amino]-2-pyridin-3-ylacetate
SMILESCOC(=O)[C@@H](c1cccnc1)N(C)CC(F)F
InChIInChI=1S/C11H14F2N2O2/c1-15(7-9(12)13)10(11(16)17-2)8-4-3-5-14-6-8/h3-6,9-10H,7H2,1-2H3/t10-/m1/s1
InChIKeyWNQRYNSIHFHYIE-SNVBAGLBSA-N
MW244.24 g/mol
LogP1.49
Rot. Bonds5

About methyl (2R)-2-[2,2-difluoroethyl(methyl)amino]-2-pyridin-3-ylacetate

methyl (2R)-2-[2,2-difluoroethyl(methyl)amino]-2-pyridin-3-ylacetate (PubChem CID 97329606) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is methyl (2R)-2-[2,2-difluoroethyl(methyl)amino]-2-pyridin-3-ylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[2,2-difluoroethyl(methyl)amino]-2-pyridin-3-ylacetate
PubChem CID97329606
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Namemethyl (2R)-2-[2,2-difluoroethyl(methyl)amino]-2-pyridin-3-ylacetate
SMILESCOC(=O)[C@@H](c1cccnc1)N(C)CC(F)F
InChIInChI=1S/C11H14F2N2O2/c1-15(7-9(12)13)10(11(16)17-2)8-4-3-5-14-6-8/h3-6,9-10H,7H2,1-2H3/t10-/m1/s1
InChIKeyWNQRYNSIHFHYIE-SNVBAGLBSA-N
XLogP1.49
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[2,2-difluoroethyl(methyl)amino]-2-pyridin-3-ylacetate?
The IUPAC name of methyl (2R)-2-[2,2-difluoroethyl(methyl)amino]-2-pyridin-3-ylacetate (CID 97329606) is methyl (2R)-2-[2,2-difluoroethyl(methyl)amino]-2-pyridin-3-ylacetate.
What is the SMILES notation for methyl (2R)-2-[2,2-difluoroethyl(methyl)amino]-2-pyridin-3-ylacetate?
The canonical SMILES for methyl (2R)-2-[2,2-difluoroethyl(methyl)amino]-2-pyridin-3-ylacetate is COC(=O)[C@@H](c1cccnc1)N(C)CC(F)F.
What is the InChIKey of methyl (2R)-2-[2,2-difluoroethyl(methyl)amino]-2-pyridin-3-ylacetate?
The InChIKey is WNQRYNSIHFHYIE-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-15(7-9(12)13)10(11(16)17-2)8-4-3-5-14-6-8/h3-6,9-10H,7H2,1-2H3/t10-/m1/s1.
What are the key properties of methyl (2R)-2-[2,2-difluoroethyl(methyl)amino]-2-pyridin-3-ylacetate?
methyl (2R)-2-[2,2-difluoroethyl(methyl)amino]-2-pyridin-3-ylacetate has a molecular weight of 244.24 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[2,2-difluoroethyl(methyl)amino]-2-pyridin-3-ylacetate is sourced from PubChem (CID 97329606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).