3-amino-1-(3-fluoropropyl)pyridin-4-one

C8H11FN2O — CID 82989736

IUPAC3-amino-1-(3-fluoropropyl)pyridin-4-one
SMILESNc1cn(CCCF)ccc1=O
InChIInChI=1S/C8H11FN2O/c9-3-1-4-11-5-2-8(12)7(10)6-11/h2,5-6H,1,3-4,10H2
InChIKeyXCIZJNVFPHLASH-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.79
Rot. Bonds3

About 3-amino-1-(3-fluoropropyl)pyridin-4-one

3-amino-1-(3-fluoropropyl)pyridin-4-one (PubChem CID 82989736) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 3-amino-1-(3-fluoropropyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-(3-fluoropropyl)pyridin-4-one
PubChem CID82989736
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name3-amino-1-(3-fluoropropyl)pyridin-4-one
SMILESNc1cn(CCCF)ccc1=O
InChIInChI=1S/C8H11FN2O/c9-3-1-4-11-5-2-8(12)7(10)6-11/h2,5-6H,1,3-4,10H2
InChIKeyXCIZJNVFPHLASH-UHFFFAOYSA-N
XLogP0.79
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-1-methyl-4(1H)-pyridinone
CID 55282111
3-Amino-1-ethyl-1,4-dihydropyridin-4-one
CID 71756677
3-Amino-2-fluoropyridin-4-ol
CID 130923611
3-Amino-1-methyl-1,4-dihydropyridin-4-one dihydrochloride
CID 165665115
5-Amino-2-fluoropyridin-4-ol
CID 92133077
3-Amino-1-(3,3,3-trifluoropropyl)-1,4-dihydropyridin-4-one
CID 82990006
3-Amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-one
CID 82991601
3-Amino-1-(4,4,4-trifluorobutyl)-1,4-dihydropyridin-4-one
CID 82991617
3-Amino-1-(2-fluoroethyl)-1,4-dihydropyridin-4-one
CID 82991852
3-Amino-1-(2,2-difluoroethyl)-1,4-dihydropyridin-4-one
CID 82991866
3-Amino-1-(2,2,2-trifluoroethyl)-1,4-dihydropyridin-4-one
CID 82992304
3-Amino-1-[(2,2,2-trifluoroethoxy)methyl]-1,4-dihydropyridin-4-one
CID 106704856

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-fluoropropyl)pyridin-4-one?
The IUPAC name of 3-amino-1-(3-fluoropropyl)pyridin-4-one (CID 82989736) is 3-amino-1-(3-fluoropropyl)pyridin-4-one.
What is the SMILES notation for 3-amino-1-(3-fluoropropyl)pyridin-4-one?
The canonical SMILES for 3-amino-1-(3-fluoropropyl)pyridin-4-one is Nc1cn(CCCF)ccc1=O.
What is the InChIKey of 3-amino-1-(3-fluoropropyl)pyridin-4-one?
The InChIKey is XCIZJNVFPHLASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c9-3-1-4-11-5-2-8(12)7(10)6-11/h2,5-6H,1,3-4,10H2.
What are the key properties of 3-amino-1-(3-fluoropropyl)pyridin-4-one?
3-amino-1-(3-fluoropropyl)pyridin-4-one has a molecular weight of 170.19 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-fluoropropyl)pyridin-4-one is sourced from PubChem (CID 82989736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).