1-(4-amino-3-fluorocyclohexa-1,3-dien-1-yl)pyridin-2-one

C11H11FN2O — CID 143706679

IUPAC1-(4-amino-3-fluorocyclohexa-1,3-dien-1-yl)pyridin-2-one
SMILESNC1=C(F)C=C(n2ccccc2=O)CC1
InChIInChI=1S/C11H11FN2O/c12-9-7-8(4-5-10(9)13)14-6-2-1-3-11(14)15/h1-3,6-7H,4-5,13H2
InChIKeyADLFKVPYCRDVSS-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.62
Rot. Bonds1

About 1-(4-amino-3-fluorocyclohexa-1,3-dien-1-yl)pyridin-2-one

1-(4-amino-3-fluorocyclohexa-1,3-dien-1-yl)pyridin-2-one (PubChem CID 143706679) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-(4-amino-3-fluorocyclohexa-1,3-dien-1-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(4-amino-3-fluorocyclohexa-1,3-dien-1-yl)pyridin-2-one
PubChem CID143706679
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name1-(4-amino-3-fluorocyclohexa-1,3-dien-1-yl)pyridin-2-one
SMILESNC1=C(F)C=C(n2ccccc2=O)CC1
InChIInChI=1S/C11H11FN2O/c12-9-7-8(4-5-10(9)13)14-6-2-1-3-11(14)15/h1-3,6-7H,4-5,13H2
InChIKeyADLFKVPYCRDVSS-UHFFFAOYSA-N
XLogP1.62
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-fluorocyclohexa-1,3-dien-1-yl)pyridin-2-one?
The IUPAC name of 1-(4-amino-3-fluorocyclohexa-1,3-dien-1-yl)pyridin-2-one (CID 143706679) is 1-(4-amino-3-fluorocyclohexa-1,3-dien-1-yl)pyridin-2-one.
What is the SMILES notation for 1-(4-amino-3-fluorocyclohexa-1,3-dien-1-yl)pyridin-2-one?
The canonical SMILES for 1-(4-amino-3-fluorocyclohexa-1,3-dien-1-yl)pyridin-2-one is NC1=C(F)C=C(n2ccccc2=O)CC1.
What is the InChIKey of 1-(4-amino-3-fluorocyclohexa-1,3-dien-1-yl)pyridin-2-one?
The InChIKey is ADLFKVPYCRDVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c12-9-7-8(4-5-10(9)13)14-6-2-1-3-11(14)15/h1-3,6-7H,4-5,13H2.
What are the key properties of 1-(4-amino-3-fluorocyclohexa-1,3-dien-1-yl)pyridin-2-one?
1-(4-amino-3-fluorocyclohexa-1,3-dien-1-yl)pyridin-2-one has a molecular weight of 206.22 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-fluorocyclohexa-1,3-dien-1-yl)pyridin-2-one is sourced from PubChem (CID 143706679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).