1-amino-3-fluoro-4-methylpyrrol-2-ol

C5H7FN2O — CID 163581852

IUPAC1-amino-3-fluoro-4-methylpyrrol-2-ol
SMILESCc1cn(N)c(O)c1F
InChIInChI=1S/C5H7FN2O/c1-3-2-8(7)5(9)4(3)6/h2,9H,7H2,1H3
InChIKeyGIEXHKGDUHPYLL-UHFFFAOYSA-N
MW130.12 g/mol
LogP0.36
Rot. Bonds

About 1-amino-3-fluoro-4-methylpyrrol-2-ol

1-amino-3-fluoro-4-methylpyrrol-2-ol (PubChem CID 163581852) has the molecular formula C5H7FN2O and a molecular weight of 130.12 g/mol. Its IUPAC name is 1-amino-3-fluoro-4-methylpyrrol-2-ol.

Molecular Properties

Compound Name1-amino-3-fluoro-4-methylpyrrol-2-ol
PubChem CID163581852
Molecular FormulaC5H7FN2O
Molecular Weight130.12 g/mol
Exact Mass130.05
IUPAC Name1-amino-3-fluoro-4-methylpyrrol-2-ol
SMILESCc1cn(N)c(O)c1F
InChIInChI=1S/C5H7FN2O/c1-3-2-8(7)5(9)4(3)6/h2,9H,7H2,1H3
InChIKeyGIEXHKGDUHPYLL-UHFFFAOYSA-N
XLogP0.36
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-3-fluoro-4-methylpyrrol-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

3,4-Dimethyl-1-propan-2-ylpyrrol-2-ol
CID 134891005
1,5-Dihydroxy-3,4-dimethyl-2-hydrogen-pyrrole
CID 171393951
1-Amino-4-(trifluoromethyl)pyrrol-2-ol
CID 162555706
1,3,4-Trimethylpyrrol-2-OL
CID 13795009

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-fluoro-4-methylpyrrol-2-ol?
The IUPAC name of 1-amino-3-fluoro-4-methylpyrrol-2-ol (CID 163581852) is 1-amino-3-fluoro-4-methylpyrrol-2-ol.
What is the SMILES notation for 1-amino-3-fluoro-4-methylpyrrol-2-ol?
The canonical SMILES for 1-amino-3-fluoro-4-methylpyrrol-2-ol is Cc1cn(N)c(O)c1F.
What is the InChIKey of 1-amino-3-fluoro-4-methylpyrrol-2-ol?
The InChIKey is GIEXHKGDUHPYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2O/c1-3-2-8(7)5(9)4(3)6/h2,9H,7H2,1H3.
What are the key properties of 1-amino-3-fluoro-4-methylpyrrol-2-ol?
1-amino-3-fluoro-4-methylpyrrol-2-ol has a molecular weight of 130.12 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-fluoro-4-methylpyrrol-2-ol is sourced from PubChem (CID 163581852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).