3-amino-6,8-dichlorochromen-4-one

C9H5Cl2NO2 — CID 102172554

IUPAC3-amino-6,8-dichlorochromen-4-one
SMILESNc1coc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C9H5Cl2NO2/c10-4-1-5-8(13)7(12)3-14-9(5)6(11)2-4/h1-3H,12H2
InChIKeyQLWLLVOLOCYMQT-UHFFFAOYSA-N
MW230.05 g/mol
LogP2.68
Rot. Bonds

About 3-amino-6,8-dichlorochromen-4-one

3-amino-6,8-dichlorochromen-4-one (PubChem CID 102172554) has the molecular formula C9H5Cl2NO2 and a molecular weight of 230.05 g/mol. Its IUPAC name is 3-amino-6,8-dichlorochromen-4-one.

Molecular Properties

Compound Name3-amino-6,8-dichlorochromen-4-one
PubChem CID102172554
Molecular FormulaC9H5Cl2NO2
Molecular Weight230.05 g/mol
Exact Mass228.97
IUPAC Name3-amino-6,8-dichlorochromen-4-one
SMILESNc1coc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C9H5Cl2NO2/c10-4-1-5-8(13)7(12)3-14-9(5)6(11)2-4/h1-3H,12H2
InChIKeyQLWLLVOLOCYMQT-UHFFFAOYSA-N
XLogP2.68
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6,8-dichlorochromen-4-one?
The IUPAC name of 3-amino-6,8-dichlorochromen-4-one (CID 102172554) is 3-amino-6,8-dichlorochromen-4-one.
What is the SMILES notation for 3-amino-6,8-dichlorochromen-4-one?
The canonical SMILES for 3-amino-6,8-dichlorochromen-4-one is Nc1coc2c(Cl)cc(Cl)cc2c1=O.
What is the InChIKey of 3-amino-6,8-dichlorochromen-4-one?
The InChIKey is QLWLLVOLOCYMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO2/c10-4-1-5-8(13)7(12)3-14-9(5)6(11)2-4/h1-3H,12H2.
What are the key properties of 3-amino-6,8-dichlorochromen-4-one?
3-amino-6,8-dichlorochromen-4-one has a molecular weight of 230.05 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6,8-dichlorochromen-4-one is sourced from PubChem (CID 102172554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).