3-fluoro-1-methylpyrrol-2-amine

C5H7FN2 — CID 98752474

IUPAC3-fluoro-1-methylpyrrol-2-amine
SMILESCn1ccc(F)c1N
InChIInChI=1S/C5H7FN2/c1-8-3-2-4(6)5(8)7/h2-3H,7H2,1H3
InChIKeyIBNOCYXUKCMVJD-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.75
Rot. Bonds

About 3-fluoro-1-methylpyrrol-2-amine

3-fluoro-1-methylpyrrol-2-amine (PubChem CID 98752474) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is 3-fluoro-1-methylpyrrol-2-amine.

Molecular Properties

Compound Name3-fluoro-1-methylpyrrol-2-amine
PubChem CID98752474
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name3-fluoro-1-methylpyrrol-2-amine
SMILESCn1ccc(F)c1N
InChIInChI=1S/C5H7FN2/c1-8-3-2-4(6)5(8)7/h2-3H,7H2,1H3
InChIKeyIBNOCYXUKCMVJD-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 3-fluoro-1-methylpyrrol-2-amine?
The IUPAC name of 3-fluoro-1-methylpyrrol-2-amine (CID 98752474) is 3-fluoro-1-methylpyrrol-2-amine.
What is the SMILES notation for 3-fluoro-1-methylpyrrol-2-amine?
The canonical SMILES for 3-fluoro-1-methylpyrrol-2-amine is Cn1ccc(F)c1N.
What is the InChIKey of 3-fluoro-1-methylpyrrol-2-amine?
The InChIKey is IBNOCYXUKCMVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2/c1-8-3-2-4(6)5(8)7/h2-3H,7H2,1H3.
What are the key properties of 3-fluoro-1-methylpyrrol-2-amine?
3-fluoro-1-methylpyrrol-2-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 3-fluoro-1-methylpyrrol-2-amine is sourced from PubChem (CID 98752474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).