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

C8H9Cl3N2 — CID 13131609

IUPAC4,7-dichloro-1,3-dihydroisoindol-2-amine;hydrochloride
SMILESCl.NN1Cc2c(Cl)ccc(Cl)c2C1
InChIInChI=1S/C8H8Cl2N2.ClH/c9-7-1-2-8(10)6-4-12(11)3-5(6)7;/h1-2H,3-4,11H2;1H
InChIKeyCJGDZTVMQUYGJM-UHFFFAOYSA-N
MW239.53 g/mol
LogP2.60
Rot. Bonds

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

4,7-dichloro-1,3-dihydroisoindol-2-amine;hydrochloride (PubChem CID 13131609) has the molecular formula C8H9Cl3N2 and a molecular weight of 239.53 g/mol. Its IUPAC name is 4,7-dichloro-1,3-dihydroisoindol-2-amine;hydrochloride.

Molecular Properties

Compound Name4,7-dichloro-1,3-dihydroisoindol-2-amine;hydrochloride
PubChem CID13131609
Molecular FormulaC8H9Cl3N2
Molecular Weight239.53 g/mol
Exact Mass237.98
IUPAC Name4,7-dichloro-1,3-dihydroisoindol-2-amine;hydrochloride
SMILESCl.NN1Cc2c(Cl)ccc(Cl)c2C1
InChIInChI=1S/C8H8Cl2N2.ClH/c9-7-1-2-8(10)6-4-12(11)3-5(6)7;/h1-2H,3-4,11H2;1H
InChIKeyCJGDZTVMQUYGJM-UHFFFAOYSA-N
XLogP2.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.53
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Aganodine
CID 176878
4-Chloro-2,3-dihydro-1H-isoindole
CID 14795868
4-chloro-2,3-dihydro-1H-isoindole hydrochloride
CID 42609644
5-Chloroisoindoline hydrochloride
CID 49853502
4-Chloro-(2-isoindolinyl)-guanidine
CID 10081864
4-chloro-7-fluoro-2,3-dihydro-1H-isoindole
CID 90733903
4-Chloro-2-fluoro-1,3-dihydroisoindole
CID 172326708
Aganodine hydrochloride
CID 13131628
4-Chloro-2-(2-fluoroethyl)-1,3-dihydroisoindole
CID 130643452
4-Chloro-1,3-dihydroisoindol-2-amine
CID 13131606
4-Chloro-1,3-dihydroisoindol-2-amine;hydrochloride
CID 13131607
4,7-Dichloroisoindolin-2-amine
CID 13131608

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-1,3-dihydroisoindol-2-amine;hydrochloride?
The IUPAC name of 4,7-dichloro-1,3-dihydroisoindol-2-amine;hydrochloride (CID 13131609) is 4,7-dichloro-1,3-dihydroisoindol-2-amine;hydrochloride.
What is the SMILES notation for 4,7-dichloro-1,3-dihydroisoindol-2-amine;hydrochloride?
The canonical SMILES for 4,7-dichloro-1,3-dihydroisoindol-2-amine;hydrochloride is Cl.NN1Cc2c(Cl)ccc(Cl)c2C1.
What is the InChIKey of 4,7-dichloro-1,3-dihydroisoindol-2-amine;hydrochloride?
The InChIKey is CJGDZTVMQUYGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2.ClH/c9-7-1-2-8(10)6-4-12(11)3-5(6)7;/h1-2H,3-4,11H2;1H.
What are the key properties of 4,7-dichloro-1,3-dihydroisoindol-2-amine;hydrochloride?
4,7-dichloro-1,3-dihydroisoindol-2-amine;hydrochloride has a molecular weight of 239.53 g/mol, XLogP of 2.60, 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;hydrochloride is sourced from PubChem (CID 13131609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).