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

C7H8F2N2O — CID 130097019

IUPAC3-(aminomethyl)-5-(difluoromethyl)-1H-pyridin-2-one
SMILESNCc1cc(C(F)F)c[nH]c1=O
InChIInChI=1S/C7H8F2N2O/c8-6(9)5-1-4(2-10)7(12)11-3-5/h1,3,6H,2,10H2,(H,11,12)
InChIKeyTXBDGLCNRSQBHK-UHFFFAOYSA-N
MW174.15 g/mol
LogP0.77
Rot. Bonds2

About 3-(aminomethyl)-5-(difluoromethyl)-1H-pyridin-2-one

3-(aminomethyl)-5-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 130097019) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 3-(aminomethyl)-5-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-5-(difluoromethyl)-1H-pyridin-2-one
PubChem CID130097019
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name3-(aminomethyl)-5-(difluoromethyl)-1H-pyridin-2-one
SMILESNCc1cc(C(F)F)c[nH]c1=O
InChIInChI=1S/C7H8F2N2O/c8-6(9)5-1-4(2-10)7(12)11-3-5/h1,3,6H,2,10H2,(H,11,12)
InChIKeyTXBDGLCNRSQBHK-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

methyl 2-[5-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 133093235
5-(aminomethyl)-2-(difluoromethyl)-1H-pyridin-4-one
CID 130097026
5-(aminomethyl)-4-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 130082592
5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-1H-pyridin-2-one
CID 130083210
3-(aminomethyl)-6-bromo-5-(difluoromethyl)-1H-pyridin-2-one
CID 133093574
3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 130084595
3-(aminomethyl)-5-(difluoromethyl)-4-fluoro-1H-pyridin-2-one
CID 130079387
5-(aminomethyl)-6-bromo-3-(difluoromethyl)-1H-pyridin-2-one
CID 130110164
4-(difluoromethyl)-2-(fluoromethyl)-1H-pyrrole
CID 174952815
4-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one
CID 130082602
3-(aminomethyl)-4-(difluoromethyl)-5-iodo-1H-pyridin-2-one
CID 130082587
5-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one
CID 130082597

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-5-(difluoromethyl)-1H-pyridin-2-one (CID 130097019) is 3-(aminomethyl)-5-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-5-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-5-(difluoromethyl)-1H-pyridin-2-one is NCc1cc(C(F)F)c[nH]c1=O.
What is the InChIKey of 3-(aminomethyl)-5-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is TXBDGLCNRSQBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c8-6(9)5-1-4(2-10)7(12)11-3-5/h1,3,6H,2,10H2,(H,11,12).
What are the key properties of 3-(aminomethyl)-5-(difluoromethyl)-1H-pyridin-2-one?
3-(aminomethyl)-5-(difluoromethyl)-1H-pyridin-2-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 3-(aminomethyl)-5-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130097019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).