3-chloro-2-pyrrol-1-ylaniline

C10H9ClN2 — CID 166437360

IUPAC3-chloro-2-pyrrol-1-ylaniline
SMILESNc1cccc(Cl)c1-n1cccc1
InChIInChI=1S/C10H9ClN2/c11-8-4-3-5-9(12)10(8)13-6-1-2-7-13/h1-7H,12H2
InChIKeyGSKOWKRPJOXCJD-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.71
Rot. Bonds1

About 3-chloro-2-pyrrol-1-ylaniline

3-chloro-2-pyrrol-1-ylaniline (PubChem CID 166437360) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 3-chloro-2-pyrrol-1-ylaniline.

Molecular Properties

Compound Name3-chloro-2-pyrrol-1-ylaniline
PubChem CID166437360
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name3-chloro-2-pyrrol-1-ylaniline
SMILESNc1cccc(Cl)c1-n1cccc1
InChIInChI=1S/C10H9ClN2/c11-8-4-3-5-9(12)10(8)13-6-1-2-7-13/h1-7H,12H2
InChIKeyGSKOWKRPJOXCJD-UHFFFAOYSA-N
XLogP2.71
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-2-pyrrol-1-ylaniline 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 3-chloro-2-pyrrol-1-ylaniline?
The IUPAC name of 3-chloro-2-pyrrol-1-ylaniline (CID 166437360) is 3-chloro-2-pyrrol-1-ylaniline.
What is the SMILES notation for 3-chloro-2-pyrrol-1-ylaniline?
The canonical SMILES for 3-chloro-2-pyrrol-1-ylaniline is Nc1cccc(Cl)c1-n1cccc1.
What is the InChIKey of 3-chloro-2-pyrrol-1-ylaniline?
The InChIKey is GSKOWKRPJOXCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c11-8-4-3-5-9(12)10(8)13-6-1-2-7-13/h1-7H,12H2.
What are the key properties of 3-chloro-2-pyrrol-1-ylaniline?
3-chloro-2-pyrrol-1-ylaniline has a molecular weight of 192.65 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-pyrrol-1-ylaniline is sourced from PubChem (CID 166437360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).