7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride

C9H10Cl3NO — CID 86775388

IUPAC7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCl.NC1CCOc2c1ccc(Cl)c2Cl
InChIInChI=1S/C9H9Cl2NO.ClH/c10-6-2-1-5-7(12)3-4-13-9(5)8(6)11;/h1-2,7H,3-4,12H2;1H
InChIKeyVYJZOAGPDFHSJL-UHFFFAOYSA-N
MW254.54 g/mol
LogP3.20
Rot. Bonds

About 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride

7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride (PubChem CID 86775388) has the molecular formula C9H10Cl3NO and a molecular weight of 254.54 g/mol. Its IUPAC name is 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride.

Molecular Properties

Compound Name7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
PubChem CID86775388
Molecular FormulaC9H10Cl3NO
Molecular Weight254.54 g/mol
Exact Mass252.98
IUPAC Name7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCl.NC1CCOc2c1ccc(Cl)c2Cl
InChIInChI=1S/C9H9Cl2NO.ClH/c10-6-2-1-5-7(12)3-4-13-9(5)8(6)11;/h1-2,7H,3-4,12H2;1H
InChIKeyVYJZOAGPDFHSJL-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.54
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The IUPAC name of 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride (CID 86775388) is 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride.
What is the SMILES notation for 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The canonical SMILES for 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride is Cl.NC1CCOc2c1ccc(Cl)c2Cl.
What is the InChIKey of 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The InChIKey is VYJZOAGPDFHSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO.ClH/c10-6-2-1-5-7(12)3-4-13-9(5)8(6)11;/h1-2,7H,3-4,12H2;1H.
What are the key properties of 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride has a molecular weight of 254.54 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride is sourced from PubChem (CID 86775388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).