5-(aminomethyl)-2-(difluoromethyl)-1H-pyridin-4-one

C7H8F2N2O — CID 130097026

IUPAC5-(aminomethyl)-2-(difluoromethyl)-1H-pyridin-4-one
SMILESNCc1c[nH]c(C(F)F)cc1=O
InChIInChI=1S/C7H8F2N2O/c8-7(9)5-1-6(12)4(2-10)3-11-5/h1,3,7H,2,10H2,(H,11,12)
InChIKeyKEPQJXCDWQINEG-UHFFFAOYSA-N
MW174.15 g/mol
LogP0.77
Rot. Bonds2

About 5-(aminomethyl)-2-(difluoromethyl)-1H-pyridin-4-one

5-(aminomethyl)-2-(difluoromethyl)-1H-pyridin-4-one (PubChem CID 130097026) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(difluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-(difluoromethyl)-1H-pyridin-4-one
PubChem CID130097026
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name5-(aminomethyl)-2-(difluoromethyl)-1H-pyridin-4-one
SMILESNCc1c[nH]c(C(F)F)cc1=O
InChIInChI=1S/C7H8F2N2O/c8-7(9)5-1-6(12)4(2-10)3-11-5/h1,3,7H,2,10H2,(H,11,12)
InChIKeyKEPQJXCDWQINEG-UHFFFAOYSA-N
XLogP0.77
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 130097019
5-(aminomethyl)-4-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 130082592
3-(aminomethyl)-6-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
CID 130084616
5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-1H-pyridin-2-one
CID 130083210
3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 130084595
4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
CID 130079392
4-(aminomethyl)-6-(difluoromethyl)-5-iodo-1H-pyridin-2-one
CID 130082600
5-(aminomethyl)-6-bromo-3-(difluoromethyl)-1H-pyridin-2-one
CID 130110164
4-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one
CID 130082602
2-(chloromethyl)-6-(difluoromethyl)-3-iodo-1H-pyridin-4-one
CID 118826908
5-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one
CID 130082597
3-(aminomethyl)-6-bromo-5-(difluoromethyl)-1H-pyridin-2-one
CID 133093574

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(difluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 5-(aminomethyl)-2-(difluoromethyl)-1H-pyridin-4-one (CID 130097026) is 5-(aminomethyl)-2-(difluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 5-(aminomethyl)-2-(difluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 5-(aminomethyl)-2-(difluoromethyl)-1H-pyridin-4-one is NCc1c[nH]c(C(F)F)cc1=O.
What is the InChIKey of 5-(aminomethyl)-2-(difluoromethyl)-1H-pyridin-4-one?
The InChIKey is KEPQJXCDWQINEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c8-7(9)5-1-6(12)4(2-10)3-11-5/h1,3,7H,2,10H2,(H,11,12).
What are the key properties of 5-(aminomethyl)-2-(difluoromethyl)-1H-pyridin-4-one?
5-(aminomethyl)-2-(difluoromethyl)-1H-pyridin-4-one has a molecular weight of 174.15 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(difluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 130097026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).