2-(aminomethyl)-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one

C8H10F2N2O — CID 118842314

IUPAC2-(aminomethyl)-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(F)F)c(CN)[nH]1
InChIInChI=1S/C8H10F2N2O/c1-4-2-6(13)7(8(9)10)5(3-11)12-4/h2,8H,3,11H2,1H3,(H,12,13)
InChIKeyCBBCZNUHFUJNON-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.08
Rot. Bonds2

About 2-(aminomethyl)-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one

2-(aminomethyl)-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one (PubChem CID 118842314) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one
PubChem CID118842314
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2-(aminomethyl)-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(F)F)c(CN)[nH]1
InChIInChI=1S/C8H10F2N2O/c1-4-2-6(13)7(8(9)10)5(3-11)12-4/h2,8H,3,11H2,1H3,(H,12,13)
InChIKeyCBBCZNUHFUJNON-UHFFFAOYSA-N
XLogP1.08
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one?
The IUPAC name of 2-(aminomethyl)-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one (CID 118842314) is 2-(aminomethyl)-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-(aminomethyl)-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-(aminomethyl)-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one is Cc1cc(=O)c(C(F)F)c(CN)[nH]1.
What is the InChIKey of 2-(aminomethyl)-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one?
The InChIKey is CBBCZNUHFUJNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-4-2-6(13)7(8(9)10)5(3-11)12-4/h2,8H,3,11H2,1H3,(H,12,13).
What are the key properties of 2-(aminomethyl)-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one?
2-(aminomethyl)-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one has a molecular weight of 188.18 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(difluoromethyl)-6-methyl-1H-pyridin-4-one is sourced from PubChem (CID 118842314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).