4-(3-chlorophenyl)-1H-pyrrol-2-amine

C10H9ClN2 — CID 117222858

IUPAC4-(3-chlorophenyl)-1H-pyrrol-2-amine
SMILESNc1cc(-c2cccc(Cl)c2)c[nH]1
InChIInChI=1S/C10H9ClN2/c11-9-3-1-2-7(4-9)8-5-10(12)13-6-8/h1-6,13H,12H2
InChIKeyDCLKOZWDCOMDRL-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.92
Rot. Bonds1

About 4-(3-chlorophenyl)-1H-pyrrol-2-amine

4-(3-chlorophenyl)-1H-pyrrol-2-amine (PubChem CID 117222858) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1H-pyrrol-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1H-pyrrol-2-amine
PubChem CID117222858
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name4-(3-chlorophenyl)-1H-pyrrol-2-amine
SMILESNc1cc(-c2cccc(Cl)c2)c[nH]1
InChIInChI=1S/C10H9ClN2/c11-9-3-1-2-7(4-9)8-5-10(12)13-6-8/h1-6,13H,12H2
InChIKeyDCLKOZWDCOMDRL-UHFFFAOYSA-N
XLogP2.92
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1H-pyrrol-2-amine?
The IUPAC name of 4-(3-chlorophenyl)-1H-pyrrol-2-amine (CID 117222858) is 4-(3-chlorophenyl)-1H-pyrrol-2-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-1H-pyrrol-2-amine?
The canonical SMILES for 4-(3-chlorophenyl)-1H-pyrrol-2-amine is Nc1cc(-c2cccc(Cl)c2)c[nH]1.
What is the InChIKey of 4-(3-chlorophenyl)-1H-pyrrol-2-amine?
The InChIKey is DCLKOZWDCOMDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c11-9-3-1-2-7(4-9)8-5-10(12)13-6-8/h1-6,13H,12H2.
What are the key properties of 4-(3-chlorophenyl)-1H-pyrrol-2-amine?
4-(3-chlorophenyl)-1H-pyrrol-2-amine has a molecular weight of 192.65 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1H-pyrrol-2-amine is sourced from PubChem (CID 117222858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).