4-(4,4-difluoropiperidin-1-yl)-3-nitroso-1H-pyridin-2-one

C10H11F2N3O2 — CID 129211618

IUPAC4-(4,4-difluoropiperidin-1-yl)-3-nitroso-1H-pyridin-2-one
SMILESO=Nc1c(N2CCC(F)(F)CC2)cc[nH]c1=O
InChIInChI=1S/C10H11F2N3O2/c11-10(12)2-5-15(6-3-10)7-1-4-13-9(16)8(7)14-17/h1,4H,2-3,5-6H2,(H,13,16)
InChIKeyZHAYNIQUERVNLV-UHFFFAOYSA-N
MW243.21 g/mol
LogP2.01
Rot. Bonds2

About 4-(4,4-difluoropiperidin-1-yl)-3-nitroso-1H-pyridin-2-one

4-(4,4-difluoropiperidin-1-yl)-3-nitroso-1H-pyridin-2-one (PubChem CID 129211618) has the molecular formula C10H11F2N3O2 and a molecular weight of 243.21 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidin-1-yl)-3-nitroso-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(4,4-difluoropiperidin-1-yl)-3-nitroso-1H-pyridin-2-one
PubChem CID129211618
Molecular FormulaC10H11F2N3O2
Molecular Weight243.21 g/mol
Exact Mass243.08
IUPAC Name4-(4,4-difluoropiperidin-1-yl)-3-nitroso-1H-pyridin-2-one
SMILESO=Nc1c(N2CCC(F)(F)CC2)cc[nH]c1=O
InChIInChI=1S/C10H11F2N3O2/c11-10(12)2-5-15(6-3-10)7-1-4-13-9(16)8(7)14-17/h1,4H,2-3,5-6H2,(H,13,16)
InChIKeyZHAYNIQUERVNLV-UHFFFAOYSA-N
XLogP2.01
TPSA65.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4,4-difluoropiperidin-1-yl)-3-nitro-1H-pyridin-2-one
CID 118615166
3-(4,4-difluoropiperidin-1-yl)-1H-pyridin-2-one
CID 170791716
5-nitro-4-piperidin-1-yl-1H-pyridin-2-one
CID 71772858
3-Amino-4-(piperidin-1-yl)pyridin-2-ol
CID 83698294

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-3-nitroso-1H-pyridin-2-one?
The IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-3-nitroso-1H-pyridin-2-one (CID 129211618) is 4-(4,4-difluoropiperidin-1-yl)-3-nitroso-1H-pyridin-2-one.
What is the SMILES notation for 4-(4,4-difluoropiperidin-1-yl)-3-nitroso-1H-pyridin-2-one?
The canonical SMILES for 4-(4,4-difluoropiperidin-1-yl)-3-nitroso-1H-pyridin-2-one is O=Nc1c(N2CCC(F)(F)CC2)cc[nH]c1=O.
What is the InChIKey of 4-(4,4-difluoropiperidin-1-yl)-3-nitroso-1H-pyridin-2-one?
The InChIKey is ZHAYNIQUERVNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O2/c11-10(12)2-5-15(6-3-10)7-1-4-13-9(16)8(7)14-17/h1,4H,2-3,5-6H2,(H,13,16).
What are the key properties of 4-(4,4-difluoropiperidin-1-yl)-3-nitroso-1H-pyridin-2-one?
4-(4,4-difluoropiperidin-1-yl)-3-nitroso-1H-pyridin-2-one has a molecular weight of 243.21 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropiperidin-1-yl)-3-nitroso-1H-pyridin-2-one is sourced from PubChem (CID 129211618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).