2-fluoro-5-pyrrol-1-ylaniline

C10H9FN2 — CID 47003085

IUPAC2-fluoro-5-pyrrol-1-ylaniline
SMILESNc1cc(-n2cccc2)ccc1F
InChIInChI=1S/C10H9FN2/c11-9-4-3-8(7-10(9)12)13-5-1-2-6-13/h1-7H,12H2
InChIKeySIPWVEMZXMMIHP-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.20
Rot. Bonds1

About 2-fluoro-5-pyrrol-1-ylaniline

2-fluoro-5-pyrrol-1-ylaniline (PubChem CID 47003085) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 2-fluoro-5-pyrrol-1-ylaniline.

Molecular Properties

Compound Name2-fluoro-5-pyrrol-1-ylaniline
PubChem CID47003085
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name2-fluoro-5-pyrrol-1-ylaniline
SMILESNc1cc(-n2cccc2)ccc1F
InChIInChI=1S/C10H9FN2/c11-9-4-3-8(7-10(9)12)13-5-1-2-6-13/h1-7H,12H2
InChIKeySIPWVEMZXMMIHP-UHFFFAOYSA-N
XLogP2.20
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(1H-pyrrol-1-yl)aniline
CID 80123
4-Pyrrolidinopyridine
CID 75567
2-(1-Pyrrolyl)benzylamine
CID 707327
4-Pyrrol-1-yl-phenylamine
CID 2795457
3-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline
CID 648465
3-(1H-pyrrol-1-yl)aniline
CID 2760546
N-(4-Fluorophenyl)-3-pyridinemethanamine
CID 645683
1-Phenylpyrrole
CID 12480
N,N-Dimethyl-4-(1H-pyrrol-1-yl)aniline
CID 272429
3-(1H-Pyrrol-1-Yl)Benzylamine
CID 2776533
N-phenylpyridin-4-amine
CID 89945
N-(4-fluorophenyl)pyrrole
CID 727844

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-pyrrol-1-ylaniline?
The IUPAC name of 2-fluoro-5-pyrrol-1-ylaniline (CID 47003085) is 2-fluoro-5-pyrrol-1-ylaniline.
What is the SMILES notation for 2-fluoro-5-pyrrol-1-ylaniline?
The canonical SMILES for 2-fluoro-5-pyrrol-1-ylaniline is Nc1cc(-n2cccc2)ccc1F.
What is the InChIKey of 2-fluoro-5-pyrrol-1-ylaniline?
The InChIKey is SIPWVEMZXMMIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c11-9-4-3-8(7-10(9)12)13-5-1-2-6-13/h1-7H,12H2.
What are the key properties of 2-fluoro-5-pyrrol-1-ylaniline?
2-fluoro-5-pyrrol-1-ylaniline has a molecular weight of 176.19 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-pyrrol-1-ylaniline is sourced from PubChem (CID 47003085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).