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

C8H10F2N2O2 — CID 130083196

IUPAC6-(aminomethyl)-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
SMILESCOc1c(C(F)F)[nH]c(CN)cc1=O
InChIInChI=1S/C8H10F2N2O2/c1-14-7-5(13)2-4(3-11)12-6(7)8(9)10/h2,8H,3,11H2,1H3,(H,12,13)
InChIKeyPWNSBITXGXDLCV-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.78
Rot. Bonds3

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

6-(aminomethyl)-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one (PubChem CID 130083196) has the molecular formula C8H10F2N2O2 and a molecular weight of 204.18 g/mol. Its IUPAC name is 6-(aminomethyl)-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name6-(aminomethyl)-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
PubChem CID130083196
Molecular FormulaC8H10F2N2O2
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name6-(aminomethyl)-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
SMILESCOc1c(C(F)F)[nH]c(CN)cc1=O
InChIInChI=1S/C8H10F2N2O2/c1-14-7-5(13)2-4(3-11)12-6(7)8(9)10/h2,8H,3,11H2,1H3,(H,12,13)
InChIKeyPWNSBITXGXDLCV-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 6-(aminomethyl)-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one?
The IUPAC name of 6-(aminomethyl)-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one (CID 130083196) is 6-(aminomethyl)-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 6-(aminomethyl)-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one?
The canonical SMILES for 6-(aminomethyl)-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one is COc1c(C(F)F)[nH]c(CN)cc1=O.
What is the InChIKey of 6-(aminomethyl)-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one?
The InChIKey is PWNSBITXGXDLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2/c1-14-7-5(13)2-4(3-11)12-6(7)8(9)10/h2,8H,3,11H2,1H3,(H,12,13).
What are the key properties of 6-(aminomethyl)-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one?
6-(aminomethyl)-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-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 6-(aminomethyl)-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 130083196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).