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

C8H10F2N2O2 — CID 130083210

IUPAC5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-1H-pyridin-2-one
SMILESCOc1c(C(F)F)c(CN)c[nH]c1=O
InChIInChI=1S/C8H10F2N2O2/c1-14-6-5(7(9)10)4(2-11)3-12-8(6)13/h3,7H,2,11H2,1H3,(H,12,13)
InChIKeyXWLGKOFOBXLZGY-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.78
Rot. Bonds3

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

5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-1H-pyridin-2-one (PubChem CID 130083210) has the molecular formula C8H10F2N2O2 and a molecular weight of 204.18 g/mol. Its IUPAC name is 5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-1H-pyridin-2-one
PubChem CID130083210
Molecular FormulaC8H10F2N2O2
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-1H-pyridin-2-one
SMILESCOc1c(C(F)F)c(CN)c[nH]c1=O
InChIInChI=1S/C8H10F2N2O2/c1-14-6-5(7(9)10)4(2-11)3-12-8(6)13/h3,7H,2,11H2,1H3,(H,12,13)
InChIKeyXWLGKOFOBXLZGY-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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Related Compounds

5-(aminomethyl)-4-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 130082592
3-(difluoromethyl)-5-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one
CID 130083413
methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate
CID 133102943
3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 130084595
3-amino-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
CID 130104559
3-(aminomethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 130097019
ethyl 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate
CID 133103174
ethyl 5-(aminomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylate
CID 133102494
3-chloro-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
CID 130072290
methyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 133085156
ethyl 2-[5-(difluoromethyl)-4-methyl-6-oxo-1H-pyridin-3-yl]acetate
CID 133103019
[6-chloro-5-(difluoromethyl)-4-methoxy-3-pyridinyl]methanamine
CID 130073732

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-1H-pyridin-2-one?
The IUPAC name of 5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-1H-pyridin-2-one (CID 130083210) is 5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-1H-pyridin-2-one?
The canonical SMILES for 5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-1H-pyridin-2-one is COc1c(C(F)F)c(CN)c[nH]c1=O.
What is the InChIKey of 5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-1H-pyridin-2-one?
The InChIKey is XWLGKOFOBXLZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2/c1-14-6-5(7(9)10)4(2-11)3-12-8(6)13/h3,7H,2,11H2,1H3,(H,12,13).
What are the key properties of 5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-1H-pyridin-2-one?
5-(aminomethyl)-4-(difluoromethyl)-3-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 5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 130083210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).