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

C8H10F2N2O2 — CID 118829902

IUPAC4-(aminomethyl)-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one
SMILESCOc1c[nH]c(=O)c(C(F)F)c1CN
InChIInChI=1S/C8H10F2N2O2/c1-14-5-3-12-8(13)6(7(9)10)4(5)2-11/h3,7H,2,11H2,1H3,(H,12,13)
InChIKeyGRSIBSIKAPDWNL-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.78
Rot. Bonds3

About 4-(aminomethyl)-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one

4-(aminomethyl)-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one (PubChem CID 118829902) has the molecular formula C8H10F2N2O2 and a molecular weight of 204.18 g/mol. Its IUPAC name is 4-(aminomethyl)-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one
PubChem CID118829902
Molecular FormulaC8H10F2N2O2
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name4-(aminomethyl)-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one
SMILESCOc1c[nH]c(=O)c(C(F)F)c1CN
InChIInChI=1S/C8H10F2N2O2/c1-14-5-3-12-8(13)6(7(9)10)4(5)2-11/h3,7H,2,11H2,1H3,(H,12,13)
InChIKeyGRSIBSIKAPDWNL-UHFFFAOYSA-N
XLogP0.78
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one?
The IUPAC name of 4-(aminomethyl)-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one (CID 118829902) is 4-(aminomethyl)-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 4-(aminomethyl)-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one?
The canonical SMILES for 4-(aminomethyl)-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one is COc1c[nH]c(=O)c(C(F)F)c1CN.
What is the InChIKey of 4-(aminomethyl)-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one?
The InChIKey is GRSIBSIKAPDWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2/c1-14-5-3-12-8(13)6(7(9)10)4(5)2-11/h3,7H,2,11H2,1H3,(H,12,13).
What are the key properties of 4-(aminomethyl)-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one?
4-(aminomethyl)-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one has a molecular weight of 204.18 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 118829902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).