2-amino-1-(5-fluoro-3-pyridinyl)-3-methoxypropan-1-one

C9H11FN2O2 — CID 116594166

IUPAC2-amino-1-(5-fluoro-3-pyridinyl)-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)c1cncc(F)c1
InChIInChI=1S/C9H11FN2O2/c1-14-5-8(11)9(13)6-2-7(10)4-12-3-6/h2-4,8H,5,11H2,1H3
InChIKeyYLCROBFYVDVZLN-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.38
Rot. Bonds4

About 2-amino-1-(5-fluoro-3-pyridinyl)-3-methoxypropan-1-one

2-amino-1-(5-fluoro-3-pyridinyl)-3-methoxypropan-1-one (PubChem CID 116594166) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 2-amino-1-(5-fluoro-3-pyridinyl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-(5-fluoro-3-pyridinyl)-3-methoxypropan-1-one
PubChem CID116594166
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name2-amino-1-(5-fluoro-3-pyridinyl)-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)c1cncc(F)c1
InChIInChI=1S/C9H11FN2O2/c1-14-5-8(11)9(13)6-2-7(10)4-12-3-6/h2-4,8H,5,11H2,1H3
InChIKeyYLCROBFYVDVZLN-UHFFFAOYSA-N
XLogP0.38
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(3,5-difluorophenyl)-3-methoxypropan-1-one
CID 116594175
2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one
CID 116594008
2-ethyl-1-(5-fluoro-3-pyridinyl)butan-1-one
CID 114963530
1-(5-fluoro-3-pyridinyl)-2-methoxy-3-methylbutan-1-one
CID 116708326
5-amino-1-(5-fluoro-3-pyridinyl)-2-methylpentan-1-one
CID 116613600
(2S)-2-amino-3-methoxy-1-phenylpropan-1-one
CID 68527964
2-amino-1-(3,5-difluorophenyl)-5-methoxypentan-1-one
CID 116593859
2-[(5-fluoropyridine-3-carbonyl)amino]-4-methoxybutanoic acid
CID 104785549
(5-fluoro-3-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 105128321
2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methoxypropan-1-one
CID 107291086
2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)ethanone
CID 116709222
2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one
CID 116567366

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-fluoro-3-pyridinyl)-3-methoxypropan-1-one?
The IUPAC name of 2-amino-1-(5-fluoro-3-pyridinyl)-3-methoxypropan-1-one (CID 116594166) is 2-amino-1-(5-fluoro-3-pyridinyl)-3-methoxypropan-1-one.
What is the SMILES notation for 2-amino-1-(5-fluoro-3-pyridinyl)-3-methoxypropan-1-one?
The canonical SMILES for 2-amino-1-(5-fluoro-3-pyridinyl)-3-methoxypropan-1-one is COCC(N)C(=O)c1cncc(F)c1.
What is the InChIKey of 2-amino-1-(5-fluoro-3-pyridinyl)-3-methoxypropan-1-one?
The InChIKey is YLCROBFYVDVZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-14-5-8(11)9(13)6-2-7(10)4-12-3-6/h2-4,8H,5,11H2,1H3.
What are the key properties of 2-amino-1-(5-fluoro-3-pyridinyl)-3-methoxypropan-1-one?
2-amino-1-(5-fluoro-3-pyridinyl)-3-methoxypropan-1-one has a molecular weight of 198.20 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-fluoro-3-pyridinyl)-3-methoxypropan-1-one is sourced from PubChem (CID 116594166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).