methyl 2-amino-2-(5-fluoro-3-pyridinyl)acetate

C8H9FN2O2 — CID 131354218

IUPACmethyl 2-amino-2-(5-fluoro-3-pyridinyl)acetate
SMILESCOC(=O)C(N)c1cncc(F)c1
InChIInChI=1S/C8H9FN2O2/c1-13-8(12)7(10)5-2-6(9)4-11-3-5/h2-4,7H,10H2,1H3
InChIKeyNMEDRKMILKBOEO-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.39
Rot. Bonds2

About methyl 2-amino-2-(5-fluoro-3-pyridinyl)acetate

methyl 2-amino-2-(5-fluoro-3-pyridinyl)acetate (PubChem CID 131354218) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is methyl 2-amino-2-(5-fluoro-3-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(5-fluoro-3-pyridinyl)acetate
PubChem CID131354218
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Namemethyl 2-amino-2-(5-fluoro-3-pyridinyl)acetate
SMILESCOC(=O)C(N)c1cncc(F)c1
InChIInChI=1S/C8H9FN2O2/c1-13-8(12)7(10)5-2-6(9)4-11-3-5/h2-4,7H,10H2,1H3
InChIKeyNMEDRKMILKBOEO-UHFFFAOYSA-N
XLogP0.39
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-(5-fluoro-3-pyridinyl)propanoate
CID 94425120
methyl 2-(4-tert-butylanilino)-2-(5-fluoro-3-pyridinyl)acetate
CID 166078225
2-ethyl-1-(5-fluoro-3-pyridinyl)-2-methoxybutan-1-amine
CID 116760662
1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-amine
CID 116757462
methyl 2-amino-2-(5-fluoro-2-pyridinyl)acetate
CID 131354217
(5-fluoro-3-pyridinyl)-(5-methoxy-3-pyridinyl)methanol
CID 105121302
2-cyclopropyl-1-(5-fluoro-3-pyridinyl)-2-methoxyethanamine
CID 116722038
2-amino-1-(5-fluoro-3-pyridinyl)-3-methoxypropan-1-one
CID 116594166
[1-(5-fluoro-3-pyridinyl)-3-methoxypropyl]hydrazine
CID 105206466
methyl 2-(3,5-difluorophenyl)-2-fluoroacetate
CID 22312713
methyl (2S)-2-amino-2-(3,5-dihydroxyphenyl)acetate;hydrochloride
CID 171199915
methyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate
CID 171201488

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(5-fluoro-3-pyridinyl)acetate?
The IUPAC name of methyl 2-amino-2-(5-fluoro-3-pyridinyl)acetate (CID 131354218) is methyl 2-amino-2-(5-fluoro-3-pyridinyl)acetate.
What is the SMILES notation for methyl 2-amino-2-(5-fluoro-3-pyridinyl)acetate?
The canonical SMILES for methyl 2-amino-2-(5-fluoro-3-pyridinyl)acetate is COC(=O)C(N)c1cncc(F)c1.
What is the InChIKey of methyl 2-amino-2-(5-fluoro-3-pyridinyl)acetate?
The InChIKey is NMEDRKMILKBOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-13-8(12)7(10)5-2-6(9)4-11-3-5/h2-4,7H,10H2,1H3.
What are the key properties of methyl 2-amino-2-(5-fluoro-3-pyridinyl)acetate?
methyl 2-amino-2-(5-fluoro-3-pyridinyl)acetate has a molecular weight of 184.17 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(5-fluoro-3-pyridinyl)acetate is sourced from PubChem (CID 131354218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).