3-amino-1-(4,4-difluorobutyl)pyridin-4-one

C9H12F2N2O — CID 165472721

IUPAC3-amino-1-(4,4-difluorobutyl)pyridin-4-one
SMILESNc1cn(CCCC(F)F)ccc1=O
InChIInChI=1S/C9H12F2N2O/c10-9(11)2-1-4-13-5-3-8(14)7(12)6-13/h3,5-6,9H,1-2,4,12H2
InChIKeySQHNMNDRUPNWOW-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.48
Rot. Bonds4

About 3-amino-1-(4,4-difluorobutyl)pyridin-4-one

3-amino-1-(4,4-difluorobutyl)pyridin-4-one (PubChem CID 165472721) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 3-amino-1-(4,4-difluorobutyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-(4,4-difluorobutyl)pyridin-4-one
PubChem CID165472721
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name3-amino-1-(4,4-difluorobutyl)pyridin-4-one
SMILESNc1cn(CCCC(F)F)ccc1=O
InChIInChI=1S/C9H12F2N2O/c10-9(11)2-1-4-13-5-3-8(14)7(12)6-13/h3,5-6,9H,1-2,4,12H2
InChIKeySQHNMNDRUPNWOW-UHFFFAOYSA-N
XLogP1.48
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3,3-Trifluoropropyl)pyridin-4-one
CID 116622316
3-Amino-1-(3-fluoropropyl)-1,4-dihydropyridin-4-one
CID 82989736
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-5-bromo-1-(4,4,4-trifluorobutyl)pyridin-4-one
CID 103961989
3-Amino-1-[(2,2,2-trifluoroethoxy)methyl]-1,4-dihydropyridin-4-one
CID 106704856
1-(4,4,4-Trifluorobutyl)pyridin-4-one
CID 116622205
3-Amino-1-(difluoromethyl)-1,4-dihydropyridin-4-one
CID 165465800

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4,4-difluorobutyl)pyridin-4-one?
The IUPAC name of 3-amino-1-(4,4-difluorobutyl)pyridin-4-one (CID 165472721) is 3-amino-1-(4,4-difluorobutyl)pyridin-4-one.
What is the SMILES notation for 3-amino-1-(4,4-difluorobutyl)pyridin-4-one?
The canonical SMILES for 3-amino-1-(4,4-difluorobutyl)pyridin-4-one is Nc1cn(CCCC(F)F)ccc1=O.
What is the InChIKey of 3-amino-1-(4,4-difluorobutyl)pyridin-4-one?
The InChIKey is SQHNMNDRUPNWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c10-9(11)2-1-4-13-5-3-8(14)7(12)6-13/h3,5-6,9H,1-2,4,12H2.
What are the key properties of 3-amino-1-(4,4-difluorobutyl)pyridin-4-one?
3-amino-1-(4,4-difluorobutyl)pyridin-4-one has a molecular weight of 202.20 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4,4-difluorobutyl)pyridin-4-one is sourced from PubChem (CID 165472721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).