4,7-dichloro-1,3-dihydroisoindol-2-amine

C8H8Cl2N2 — CID 13131608

IUPAC4,7-dichloro-1,3-dihydroisoindol-2-amine
SMILESNN1Cc2c(Cl)ccc(Cl)c2C1
InChIInChI=1S/C8H8Cl2N2/c9-7-1-2-8(10)6-4-12(11)3-5(6)7/h1-2H,3-4,11H2
InChIKeyWABUAQMDSQPEIW-UHFFFAOYSA-N
MW203.07 g/mol
LogP2.18
Rot. Bonds

About 4,7-dichloro-1,3-dihydroisoindol-2-amine

4,7-dichloro-1,3-dihydroisoindol-2-amine (PubChem CID 13131608) has the molecular formula C8H8Cl2N2 and a molecular weight of 203.07 g/mol. Its IUPAC name is 4,7-dichloro-1,3-dihydroisoindol-2-amine.

Molecular Properties

Compound Name4,7-dichloro-1,3-dihydroisoindol-2-amine
PubChem CID13131608
Molecular FormulaC8H8Cl2N2
Molecular Weight203.07 g/mol
Exact Mass202.01
IUPAC Name4,7-dichloro-1,3-dihydroisoindol-2-amine
SMILESNN1Cc2c(Cl)ccc(Cl)c2C1
InChIInChI=1S/C8H8Cl2N2/c9-7-1-2-8(10)6-4-12(11)3-5(6)7/h1-2H,3-4,11H2
InChIKeyWABUAQMDSQPEIW-UHFFFAOYSA-N
XLogP2.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-1,3-dihydroisoindol-2-amine?
The IUPAC name of 4,7-dichloro-1,3-dihydroisoindol-2-amine (CID 13131608) is 4,7-dichloro-1,3-dihydroisoindol-2-amine.
What is the SMILES notation for 4,7-dichloro-1,3-dihydroisoindol-2-amine?
The canonical SMILES for 4,7-dichloro-1,3-dihydroisoindol-2-amine is NN1Cc2c(Cl)ccc(Cl)c2C1.
What is the InChIKey of 4,7-dichloro-1,3-dihydroisoindol-2-amine?
The InChIKey is WABUAQMDSQPEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2/c9-7-1-2-8(10)6-4-12(11)3-5(6)7/h1-2H,3-4,11H2.
What are the key properties of 4,7-dichloro-1,3-dihydroisoindol-2-amine?
4,7-dichloro-1,3-dihydroisoindol-2-amine has a molecular weight of 203.07 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-1,3-dihydroisoindol-2-amine is sourced from PubChem (CID 13131608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).