6-amino-5-fluoro-3-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one

C10H14FN3O2 — CID 144630129

IUPAC6-amino-5-fluoro-3-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one
SMILESNc1[nH]c(=O)c(C2CCC(CO)N2)cc1F
InChIInChI=1S/C10H14FN3O2/c11-7-3-6(10(16)14-9(7)12)8-2-1-5(4-15)13-8/h3,5,8,13,15H,1-2,4H2,(H3,12,14,16)
InChIKeyVSILHWVDMUMRIW-UHFFFAOYSA-N
MW227.24 g/mol
LogP-0.12
Rot. Bonds2

About 6-amino-5-fluoro-3-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one

6-amino-5-fluoro-3-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one (PubChem CID 144630129) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is 6-amino-5-fluoro-3-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-amino-5-fluoro-3-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one
PubChem CID144630129
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name6-amino-5-fluoro-3-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one
SMILESNc1[nH]c(=O)c(C2CCC(CO)N2)cc1F
InChIInChI=1S/C10H14FN3O2/c11-7-3-6(10(16)14-9(7)12)8-2-1-5(4-15)13-8/h3,5,8,13,15H,1-2,4H2,(H3,12,14,16)
InChIKeyVSILHWVDMUMRIW-UHFFFAOYSA-N
XLogP-0.12
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 6-amino-5-fluoro-3-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-fluoro-3-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one?
The IUPAC name of 6-amino-5-fluoro-3-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one (CID 144630129) is 6-amino-5-fluoro-3-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-amino-5-fluoro-3-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-amino-5-fluoro-3-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one is Nc1[nH]c(=O)c(C2CCC(CO)N2)cc1F.
What is the InChIKey of 6-amino-5-fluoro-3-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one?
The InChIKey is VSILHWVDMUMRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c11-7-3-6(10(16)14-9(7)12)8-2-1-5(4-15)13-8/h3,5,8,13,15H,1-2,4H2,(H3,12,14,16).
What are the key properties of 6-amino-5-fluoro-3-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one?
6-amino-5-fluoro-3-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one has a molecular weight of 227.24 g/mol, XLogP of -0.12, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-fluoro-3-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 144630129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).