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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Related Compounds

methyl (2S)-3-amino-2-pyridin-3-ylpropanoate
CID 57242808
2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride
CID 67492420
methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride
CID 146049161
methyl 3-oxo-2-pyridin-3-ylbutanoate
CID 54382614
methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate
CID 60795276
3-amino-N',N'-dimethyl-3-pyridin-3-ylpropanehydrazide
CID 116850071
methyl 2-[[(1R)-1-pyridin-3-ylethyl]amino]butanoate
CID 115353559
3-(dimethylamino)-3-pyridin-3-ylpropanoic acid
CID 64526600
2-(diethylamino)-2-pyridin-3-ylacetic acid
CID 43803724
methyl 2-methyl-3-[[(1R)-1-pyridin-3-ylethyl]amino]butanoate
CID 81404347
3-amino-N-methoxy-N-methyl-3-pyridin-3-ylpropanamide;dihydrochloride
CID 87951167
methyl (2S)-2-methyl-3-[methyl(pyridin-3-ylmethyl)amino]propanoate
CID 93035101

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).