2-(aminomethyl)-1-(3-fluoro-4-pyridinyl)butan-1-one

C10H13FN2O — CID 116575121

IUPAC2-(aminomethyl)-1-(3-fluoro-4-pyridinyl)butan-1-one
SMILESCCC(CN)C(=O)c1ccncc1F
InChIInChI=1S/C10H13FN2O/c1-2-7(5-12)10(14)8-3-4-13-6-9(8)11/h3-4,6-7H,2,5,12H2,1H3
InChIKeyNWKMBNYZDDPUIB-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.39
Rot. Bonds4

About 2-(aminomethyl)-1-(3-fluoro-4-pyridinyl)butan-1-one

2-(aminomethyl)-1-(3-fluoro-4-pyridinyl)butan-1-one (PubChem CID 116575121) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3-fluoro-4-pyridinyl)butan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3-fluoro-4-pyridinyl)butan-1-one
PubChem CID116575121
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name2-(aminomethyl)-1-(3-fluoro-4-pyridinyl)butan-1-one
SMILESCCC(CN)C(=O)c1ccncc1F
InChIInChI=1S/C10H13FN2O/c1-2-7(5-12)10(14)8-3-4-13-6-9(8)11/h3-4,6-7H,2,5,12H2,1H3
InChIKeyNWKMBNYZDDPUIB-UHFFFAOYSA-N
XLogP1.39
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3-fluoro-4-pyridinyl)pentan-1-one
CID 116609051
1-(3-fluoro-4-pyridinyl)-2-hydroxy-3-methylbutan-1-one
CID 103455294
2-amino-1-(3-fluoro-4-pyridinyl)-4-methylsulfonylbutan-1-one
CID 116551972
3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
CID 105066570
1-(3-fluoro-4-pyridinyl)-2-methoxy-3,3-dimethylbutan-1-one
CID 116709711
2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-pyridinyl)ethanone
CID 116751283
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
2-(aminomethyl)-4-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-one
CID 102709439
N-(1-amino-1-hydroxyiminopentan-3-yl)-3-fluoropyridine-4-carboxamide
CID 77054803
(4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 105066571
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
2-(diethylamino)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-one
CID 104737892

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3-fluoro-4-pyridinyl)butan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(3-fluoro-4-pyridinyl)butan-1-one (CID 116575121) is 2-(aminomethyl)-1-(3-fluoro-4-pyridinyl)butan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(3-fluoro-4-pyridinyl)butan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(3-fluoro-4-pyridinyl)butan-1-one is CCC(CN)C(=O)c1ccncc1F.
What is the InChIKey of 2-(aminomethyl)-1-(3-fluoro-4-pyridinyl)butan-1-one?
The InChIKey is NWKMBNYZDDPUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-2-7(5-12)10(14)8-3-4-13-6-9(8)11/h3-4,6-7H,2,5,12H2,1H3.
What are the key properties of 2-(aminomethyl)-1-(3-fluoro-4-pyridinyl)butan-1-one?
2-(aminomethyl)-1-(3-fluoro-4-pyridinyl)butan-1-one has a molecular weight of 196.22 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(3-fluoro-4-pyridinyl)butan-1-one is sourced from PubChem (CID 116575121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).