5-fluoro-1-methylpyrrol-3-amine

C5H7FN2 — CID 144946168

IUPAC5-fluoro-1-methylpyrrol-3-amine
SMILESCn1cc(N)cc1F
InChIInChI=1S/C5H7FN2/c1-8-3-4(7)2-5(8)6/h2-3H,7H2,1H3
InChIKeyYBIOROJVQCACQR-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.75
Rot. Bonds

About 5-fluoro-1-methylpyrrol-3-amine

5-fluoro-1-methylpyrrol-3-amine (PubChem CID 144946168) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is 5-fluoro-1-methylpyrrol-3-amine.

Molecular Properties

Compound Name5-fluoro-1-methylpyrrol-3-amine
PubChem CID144946168
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name5-fluoro-1-methylpyrrol-3-amine
SMILESCn1cc(N)cc1F
InChIInChI=1S/C5H7FN2/c1-8-3-4(7)2-5(8)6/h2-3H,7H2,1H3
InChIKeyYBIOROJVQCACQR-UHFFFAOYSA-N
XLogP0.75
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methylpyrrol-3-amine?
The IUPAC name of 5-fluoro-1-methylpyrrol-3-amine (CID 144946168) is 5-fluoro-1-methylpyrrol-3-amine.
What is the SMILES notation for 5-fluoro-1-methylpyrrol-3-amine?
The canonical SMILES for 5-fluoro-1-methylpyrrol-3-amine is Cn1cc(N)cc1F.
What is the InChIKey of 5-fluoro-1-methylpyrrol-3-amine?
The InChIKey is YBIOROJVQCACQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2/c1-8-3-4(7)2-5(8)6/h2-3H,7H2,1H3.
What are the key properties of 5-fluoro-1-methylpyrrol-3-amine?
5-fluoro-1-methylpyrrol-3-amine has a molecular weight of 114.12 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methylpyrrol-3-amine is sourced from PubChem (CID 144946168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).