5-chloro-2-(1H-pyrrol-3-yl)-1H-indol-6-amine

C12H10ClN3 — CID 96599329

IUPAC5-chloro-2-(1H-pyrrol-3-yl)-1H-indol-6-amine
SMILESNc1cc2[nH]c(-c3cc[nH]c3)cc2cc1Cl
InChIInChI=1S/C12H10ClN3/c13-9-3-8-4-11(7-1-2-15-6-7)16-12(8)5-10(9)14/h1-6,15-16H,14H2
InChIKeyFIHXYXUYODLLFI-UHFFFAOYSA-N
MW231.69 g/mol
LogP3.40
Rot. Bonds1

About 5-chloro-2-(1H-pyrrol-3-yl)-1H-indol-6-amine

5-chloro-2-(1H-pyrrol-3-yl)-1H-indol-6-amine (PubChem CID 96599329) has the molecular formula C12H10ClN3 and a molecular weight of 231.69 g/mol. Its IUPAC name is 5-chloro-2-(1H-pyrrol-3-yl)-1H-indol-6-amine.

Molecular Properties

Compound Name5-chloro-2-(1H-pyrrol-3-yl)-1H-indol-6-amine
PubChem CID96599329
Molecular FormulaC12H10ClN3
Molecular Weight231.69 g/mol
Exact Mass231.06
IUPAC Name5-chloro-2-(1H-pyrrol-3-yl)-1H-indol-6-amine
SMILESNc1cc2[nH]c(-c3cc[nH]c3)cc2cc1Cl
InChIInChI=1S/C12H10ClN3/c13-9-3-8-4-11(7-1-2-15-6-7)16-12(8)5-10(9)14/h1-6,15-16H,14H2
InChIKeyFIHXYXUYODLLFI-UHFFFAOYSA-N
XLogP3.40
TPSA57.60 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1H-pyrrol-3-yl)-1H-indol-6-amine?
The IUPAC name of 5-chloro-2-(1H-pyrrol-3-yl)-1H-indol-6-amine (CID 96599329) is 5-chloro-2-(1H-pyrrol-3-yl)-1H-indol-6-amine.
What is the SMILES notation for 5-chloro-2-(1H-pyrrol-3-yl)-1H-indol-6-amine?
The canonical SMILES for 5-chloro-2-(1H-pyrrol-3-yl)-1H-indol-6-amine is Nc1cc2[nH]c(-c3cc[nH]c3)cc2cc1Cl.
What is the InChIKey of 5-chloro-2-(1H-pyrrol-3-yl)-1H-indol-6-amine?
The InChIKey is FIHXYXUYODLLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3/c13-9-3-8-4-11(7-1-2-15-6-7)16-12(8)5-10(9)14/h1-6,15-16H,14H2.
What are the key properties of 5-chloro-2-(1H-pyrrol-3-yl)-1H-indol-6-amine?
5-chloro-2-(1H-pyrrol-3-yl)-1H-indol-6-amine has a molecular weight of 231.69 g/mol, XLogP of 3.40, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1H-pyrrol-3-yl)-1H-indol-6-amine is sourced from PubChem (CID 96599329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).