2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)propan-1-one

C9H11FN2O2 — CID 84668130

IUPAC2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)propan-1-one
SMILESCOc1nc(C(=O)C(C)N)ccc1F
InChIInChI=1S/C9H11FN2O2/c1-5(11)8(13)7-4-3-6(10)9(12-7)14-2/h3-5H,11H2,1-2H3
InChIKeyGOVZZTKTIGLTKT-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.76
Rot. Bonds3

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

2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)propan-1-one (PubChem CID 84668130) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)propan-1-one
PubChem CID84668130
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)propan-1-one
SMILESCOc1nc(C(=O)C(C)N)ccc1F
InChIInChI=1S/C9H11FN2O2/c1-5(11)8(13)7-4-3-6(10)9(12-7)14-2/h3-5H,11H2,1-2H3
InChIKeyGOVZZTKTIGLTKT-UHFFFAOYSA-N
XLogP0.76
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)ethanone
CID 84659449
2-amino-1-(2-fluoro-6-methoxyphenyl)propan-1-one
CID 83808441
2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 82399071
2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 82048621
methyl 2-(5-fluoro-6-methoxy-2-pyridinyl)acetate
CID 133097041
5-amino-6-methoxy-N-methylpyridine-2-carboxamide
CID 86726461
3-fluoro-2-methoxy-6-phenylpyridine
CID 133095533
2-amino-1-(3,4-difluoro-5-methoxyphenyl)propan-1-one
CID 84783776
2-amino-1-(2,3-difluoro-6-hydroxyphenyl)propan-1-one
CID 84669836
2-amino-1-(5-ethyl-1,2-oxazol-3-yl)propan-1-one
CID 83827043
2-amino-3-(3-fluoro-4-methoxyphenyl)-3-oxopropanoic acid
CID 116920466
ethane;[4-(5-fluoro-6-methoxy-2-pyridinyl)phenyl]methanamine
CID 171626013

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)propan-1-one?
The IUPAC name of 2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)propan-1-one (CID 84668130) is 2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)propan-1-one?
The canonical SMILES for 2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)propan-1-one is COc1nc(C(=O)C(C)N)ccc1F.
What is the InChIKey of 2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)propan-1-one?
The InChIKey is GOVZZTKTIGLTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-5(11)8(13)7-4-3-6(10)9(12-7)14-2/h3-5H,11H2,1-2H3.
What are the key properties of 2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)propan-1-one?
2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)propan-1-one has a molecular weight of 198.20 g/mol, XLogP of 0.76, 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)propan-1-one is sourced from PubChem (CID 84668130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).