2-(aminomethyl)-6-(difluoromethyl)-1H-pyridin-4-one

C7H8F2N2O — CID 118803267

IUPAC2-(aminomethyl)-6-(difluoromethyl)-1H-pyridin-4-one
SMILESNCc1cc(=O)cc(C(F)F)[nH]1
InChIInChI=1S/C7H8F2N2O/c8-7(9)6-2-5(12)1-4(3-10)11-6/h1-2,7H,3,10H2,(H,11,12)
InChIKeyILSHGHMPWGQJDK-UHFFFAOYSA-N
MW174.15 g/mol
LogP0.77
Rot. Bonds2

About 2-(aminomethyl)-6-(difluoromethyl)-1H-pyridin-4-one

2-(aminomethyl)-6-(difluoromethyl)-1H-pyridin-4-one (PubChem CID 118803267) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 2-(aminomethyl)-6-(difluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-6-(difluoromethyl)-1H-pyridin-4-one
PubChem CID118803267
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name2-(aminomethyl)-6-(difluoromethyl)-1H-pyridin-4-one
SMILESNCc1cc(=O)cc(C(F)F)[nH]1
InChIInChI=1S/C7H8F2N2O/c8-7(9)6-2-5(12)1-4(3-10)11-6/h1-2,7H,3,10H2,(H,11,12)
InChIKeyILSHGHMPWGQJDK-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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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-(difluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-(aminomethyl)-6-(difluoromethyl)-1H-pyridin-4-one (CID 118803267) is 2-(aminomethyl)-6-(difluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(aminomethyl)-6-(difluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(aminomethyl)-6-(difluoromethyl)-1H-pyridin-4-one is NCc1cc(=O)cc(C(F)F)[nH]1.
What is the InChIKey of 2-(aminomethyl)-6-(difluoromethyl)-1H-pyridin-4-one?
The InChIKey is ILSHGHMPWGQJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c8-7(9)6-2-5(12)1-4(3-10)11-6/h1-2,7H,3,10H2,(H,11,12).
What are the key properties of 2-(aminomethyl)-6-(difluoromethyl)-1H-pyridin-4-one?
2-(aminomethyl)-6-(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 2-(aminomethyl)-6-(difluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 118803267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).