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

C10H9ClN2 — CID 117223470

IUPAC4-(2-chlorophenyl)-1H-pyrrol-3-amine
SMILESNc1c[nH]cc1-c1ccccc1Cl
InChIInChI=1S/C10H9ClN2/c11-9-4-2-1-3-7(9)8-5-13-6-10(8)12/h1-6,13H,12H2
InChIKeyDIIKCGFPOSQPHO-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.92
Rot. Bonds1

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

4-(2-chlorophenyl)-1H-pyrrol-3-amine (PubChem CID 117223470) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-1H-pyrrol-3-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-1H-pyrrol-3-amine
PubChem CID117223470
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name4-(2-chlorophenyl)-1H-pyrrol-3-amine
SMILESNc1c[nH]cc1-c1ccccc1Cl
InChIInChI=1S/C10H9ClN2/c11-9-4-2-1-3-7(9)8-5-13-6-10(8)12/h1-6,13H,12H2
InChIKeyDIIKCGFPOSQPHO-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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Related Compounds

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3-amino-5-(2,4-dichlorophenyl)-1H-pyridin-4-one
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[4-(2-chlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol
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1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
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CID 87547372
CID 87547372

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-1H-pyrrol-3-amine?
The IUPAC name of 4-(2-chlorophenyl)-1H-pyrrol-3-amine (CID 117223470) is 4-(2-chlorophenyl)-1H-pyrrol-3-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-1H-pyrrol-3-amine?
The canonical SMILES for 4-(2-chlorophenyl)-1H-pyrrol-3-amine is Nc1c[nH]cc1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-1H-pyrrol-3-amine?
The InChIKey is DIIKCGFPOSQPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c11-9-4-2-1-3-7(9)8-5-13-6-10(8)12/h1-6,13H,12H2.
What are the key properties of 4-(2-chlorophenyl)-1H-pyrrol-3-amine?
4-(2-chlorophenyl)-1H-pyrrol-3-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-(2-chlorophenyl)-1H-pyrrol-3-amine is sourced from PubChem (CID 117223470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).