4-amino-6-bromo-8-chloro-3,4-dihydrochromen-2-one

C9H7BrClNO2 — CID 20745358

IUPAC4-amino-6-bromo-8-chloro-3,4-dihydrochromen-2-one
SMILESNC1CC(=O)Oc2c(Cl)cc(Br)cc21
InChIInChI=1S/C9H7BrClNO2/c10-4-1-5-7(12)3-8(13)14-9(5)6(11)2-4/h1-2,7H,3,12H2
InChIKeyFNYBXKHAYXTZQR-UHFFFAOYSA-N
MW276.52 g/mol
LogP2.41
Rot. Bonds

About 4-amino-6-bromo-8-chloro-3,4-dihydrochromen-2-one

4-amino-6-bromo-8-chloro-3,4-dihydrochromen-2-one (PubChem CID 20745358) has the molecular formula C9H7BrClNO2 and a molecular weight of 276.52 g/mol. Its IUPAC name is 4-amino-6-bromo-8-chloro-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name4-amino-6-bromo-8-chloro-3,4-dihydrochromen-2-one
PubChem CID20745358
Molecular FormulaC9H7BrClNO2
Molecular Weight276.52 g/mol
Exact Mass274.93
IUPAC Name4-amino-6-bromo-8-chloro-3,4-dihydrochromen-2-one
SMILESNC1CC(=O)Oc2c(Cl)cc(Br)cc21
InChIInChI=1S/C9H7BrClNO2/c10-4-1-5-7(12)3-8(13)14-9(5)6(11)2-4/h1-2,7H,3,12H2
InChIKeyFNYBXKHAYXTZQR-UHFFFAOYSA-N
XLogP2.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.52
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-8-bromo-6-chloro-3,4-dihydrochromen-2-one
CID 18721574
4-amino-8-methyl-4,6-dihydro-3H-chromen-6-id-2-one;yttrium(3+)
CID 20619268
(4R)-6,8-dibromo-3,4-dihydro-2H-chromen-4-amine
CID 67303952
(4R)-6-bromo-8-nitro-3,4-dihydro-2H-chromen-4-amine
CID 131471040
6-bromo-8-chloro-2-pentyl-2,3-dihydrochromen-4-one
CID 118720021
(6-bromo-4-chloro-3-oxo-1H-2-benzofuran-1-yl)phosphonic acid
CID 170167799
(1R,1aR,6aS)-3-bromo-5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
CID 125453039
(4R)-6-bromo-8-chloro-4-methyl-1,2,3,4-tetrahydroquinoline
CID 124676937
(4,5,7-trichloro-2,3-dihydro-1-benzofuran-2-yl)methanamine;hydrochloride
CID 138399159
4-chlorobicyclo[3.2.1]octa-1(8),2,4-trien-6-amine
CID 89270451
6-bromo-8-chlorochromen-2-one
CID 22608599
5-bromo-7-chloro-3H-2-benzofuran-1-one
CID 67516366

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-bromo-8-chloro-3,4-dihydrochromen-2-one?
The IUPAC name of 4-amino-6-bromo-8-chloro-3,4-dihydrochromen-2-one (CID 20745358) is 4-amino-6-bromo-8-chloro-3,4-dihydrochromen-2-one.
What is the SMILES notation for 4-amino-6-bromo-8-chloro-3,4-dihydrochromen-2-one?
The canonical SMILES for 4-amino-6-bromo-8-chloro-3,4-dihydrochromen-2-one is NC1CC(=O)Oc2c(Cl)cc(Br)cc21.
What is the InChIKey of 4-amino-6-bromo-8-chloro-3,4-dihydrochromen-2-one?
The InChIKey is FNYBXKHAYXTZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClNO2/c10-4-1-5-7(12)3-8(13)14-9(5)6(11)2-4/h1-2,7H,3,12H2.
What are the key properties of 4-amino-6-bromo-8-chloro-3,4-dihydrochromen-2-one?
4-amino-6-bromo-8-chloro-3,4-dihydrochromen-2-one has a molecular weight of 276.52 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-bromo-8-chloro-3,4-dihydrochromen-2-one is sourced from PubChem (CID 20745358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).