methyl (2R)-2-amino-2-(2-fluoro-3-pyridinyl)acetate;hydrochloride

C8H10ClFN2O2 — CID 171222945

IUPACmethyl (2R)-2-amino-2-(2-fluoro-3-pyridinyl)acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1cccnc1F.Cl
InChIInChI=1S/C8H9FN2O2.ClH/c1-13-8(12)6(10)5-3-2-4-11-7(5)9;/h2-4,6H,10H2,1H3;1H/t6-;/m1./s1
InChIKeyCAXHNGJTPMWFDJ-FYZOBXCZSA-N
MW220.63 g/mol
LogP0.82
Rot. Bonds2

About methyl (2R)-2-amino-2-(2-fluoro-3-pyridinyl)acetate;hydrochloride

methyl (2R)-2-amino-2-(2-fluoro-3-pyridinyl)acetate;hydrochloride (PubChem CID 171222945) has the molecular formula C8H10ClFN2O2 and a molecular weight of 220.63 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(2-fluoro-3-pyridinyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(2-fluoro-3-pyridinyl)acetate;hydrochloride
PubChem CID171222945
Molecular FormulaC8H10ClFN2O2
Molecular Weight220.63 g/mol
Exact Mass220.04
IUPAC Namemethyl (2R)-2-amino-2-(2-fluoro-3-pyridinyl)acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1cccnc1F.Cl
InChIInChI=1S/C8H9FN2O2.ClH/c1-13-8(12)6(10)5-3-2-4-11-7(5)9;/h2-4,6H,10H2,1H3;1H/t6-;/m1./s1
InChIKeyCAXHNGJTPMWFDJ-FYZOBXCZSA-N
XLogP0.82
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.63
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-2-(2-chloro-3-pyridinyl)acetate
CID 130059341
(1S)-1-(2-fluoro-3-pyridinyl)-2-methoxyethanamine
CID 55294134
methyl (2R)-2-amino-2-pyridin-2-ylacetate
CID 86316521
methyl (2R)-2-amino-2-(2-iodophenyl)acetate;hydrochloride
CID 171230140
(1S,2S)-1-amino-1-(2-fluoro-3-pyridinyl)propan-2-ol
CID 55292775
(3R)-3-amino-3-(2-fluoro-3-pyridinyl)propanoic acid
CID 55293106
methyl (2R)-2-amino-2-(2-fluoro-3-methoxyphenyl)acetate
CID 171225303
methyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride
CID 171217015
methyl (2S)-2-[(2-fluoropyridine-3-carbonyl)amino]propanoate
CID 107358613
methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
CID 171212058
(1S)-1-(2-fluoro-3-pyridinyl)-3-methylbutan-1-amine;hydrochloride
CID 171222925
methyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate
CID 57017613

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(2-fluoro-3-pyridinyl)acetate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-2-(2-fluoro-3-pyridinyl)acetate;hydrochloride (CID 171222945) is methyl (2R)-2-amino-2-(2-fluoro-3-pyridinyl)acetate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-2-(2-fluoro-3-pyridinyl)acetate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-2-(2-fluoro-3-pyridinyl)acetate;hydrochloride is COC(=O)[C@H](N)c1cccnc1F.Cl.
What is the InChIKey of methyl (2R)-2-amino-2-(2-fluoro-3-pyridinyl)acetate;hydrochloride?
The InChIKey is CAXHNGJTPMWFDJ-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H9FN2O2.ClH/c1-13-8(12)6(10)5-3-2-4-11-7(5)9;/h2-4,6H,10H2,1H3;1H/t6-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-2-(2-fluoro-3-pyridinyl)acetate;hydrochloride?
methyl (2R)-2-amino-2-(2-fluoro-3-pyridinyl)acetate;hydrochloride has a molecular weight of 220.63 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-(2-fluoro-3-pyridinyl)acetate;hydrochloride is sourced from PubChem (CID 171222945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).