2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)ethanone

C8H9FN2O2 — CID 84659449

IUPAC2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)ethanone
SMILESCOc1nc(C(=O)CN)ccc1F
InChIInChI=1S/C8H9FN2O2/c1-13-8-5(9)2-3-6(11-8)7(12)4-10/h2-3H,4,10H2,1H3
InChIKeyIKBQHOSBHDXVHQ-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.37
Rot. Bonds3

About 2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)ethanone

2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)ethanone (PubChem CID 84659449) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is 2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)ethanone
PubChem CID84659449
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)ethanone
SMILESCOc1nc(C(=O)CN)ccc1F
InChIInChI=1S/C8H9FN2O2/c1-13-8-5(9)2-3-6(11-8)7(12)4-10/h2-3H,4,10H2,1H3
InChIKeyIKBQHOSBHDXVHQ-UHFFFAOYSA-N
XLogP0.37
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)propan-1-one
CID 84668130
methyl 2-(5-fluoro-6-methoxy-2-pyridinyl)acetate
CID 133097041
ethane;[4-(5-fluoro-6-methoxy-2-pyridinyl)phenyl]methanamine
CID 171626013
5-amino-6-methoxy-N-methylpyridine-2-carboxamide
CID 86726461
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
6-methoxy-5-methylpyridine-2-carbohydrazide
CID 71463777
2-amino-1-quinolin-2-ylethanone
CID 23532024
2-amino-1-(2-methoxyquinolin-3-yl)ethanone
CID 90036655
methyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate
CID 130063891
2-(5-fluoro-6-methoxy-2-pyridinyl)acetonitrile
CID 84765026
amino 5,6-difluoropyridine-2-carboxylate
CID 174695811
2-amino-1-(2,6-dimethoxy-4-pyridinyl)ethanone
CID 84666732

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)ethanone?
The IUPAC name of 2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)ethanone (CID 84659449) is 2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)ethanone is COc1nc(C(=O)CN)ccc1F.
What is the InChIKey of 2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)ethanone?
The InChIKey is IKBQHOSBHDXVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-13-8-5(9)2-3-6(11-8)7(12)4-10/h2-3H,4,10H2,1H3.
What are the key properties of 2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)ethanone?
2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)ethanone has a molecular weight of 184.17 g/mol, XLogP of 0.37, 3 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-6-methoxy-2-pyridinyl)ethanone is sourced from PubChem (CID 84659449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).