7-bromo-4-chloro-6-methylchromen-2-one

C10H6BrClO2 — CID 166609763

IUPAC7-bromo-4-chloro-6-methylchromen-2-one
SMILESCc1cc2c(Cl)cc(=O)oc2cc1Br
InChIInChI=1S/C10H6BrClO2/c1-5-2-6-8(12)4-10(13)14-9(6)3-7(5)11/h2-4H,1H3
InChIKeyTXHUXHWRUCZAEH-UHFFFAOYSA-N
MW273.51 g/mol
LogP3.52
Rot. Bonds

About 7-bromo-4-chloro-6-methylchromen-2-one

7-bromo-4-chloro-6-methylchromen-2-one (PubChem CID 166609763) has the molecular formula C10H6BrClO2 and a molecular weight of 273.51 g/mol. Its IUPAC name is 7-bromo-4-chloro-6-methylchromen-2-one.

Molecular Properties

Compound Name7-bromo-4-chloro-6-methylchromen-2-one
PubChem CID166609763
Molecular FormulaC10H6BrClO2
Molecular Weight273.51 g/mol
Exact Mass271.92
IUPAC Name7-bromo-4-chloro-6-methylchromen-2-one
SMILESCc1cc2c(Cl)cc(=O)oc2cc1Br
InChIInChI=1S/C10H6BrClO2/c1-5-2-6-8(12)4-10(13)14-9(6)3-7(5)11/h2-4H,1H3
InChIKeyTXHUXHWRUCZAEH-UHFFFAOYSA-N
XLogP3.52
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.51
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-bromo-4-chloro-6-methylchromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-4,6-dichlorochromen-2-one
CID 177310536
3,7-dibromo-2-methoxy-8-methyldibenzofuran
CID 159921662
2-bromo-3,5-dimethylfuro[3,2-g]chromen-7-one
CID 46197759
1,5-dibromo-2-chloro-4-methylbenzene
CID 18927059
7-bromo-2-(2-hydroxyphenyl)-6-methylchromen-4-one
CID 100964512
6,7-dimethyl-4-[(2,4,5-trichlorophenoxy)methyl]chromen-2-one
CID 7832785
(6-chloro-4-methyl-2-oxochromen-7-yl) 2-bromoacetate
CID 125495360
6,7-dichloro-4-hydroxychromen-2-one
CID 54738246
(4-methyl-2-oxochromen-7-yl) 2-chlorobenzoate
CID 802470
7-ethyl-4-hydroxy-6-methylchromen-2-one
CID 54732994
6,7-bis(2-chloroethyl)-4-methylchromen-2-one
CID 19392047
(6,7-dimethyl-2-oxochromen-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate
CID 7362858

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-6-methylchromen-2-one?
The IUPAC name of 7-bromo-4-chloro-6-methylchromen-2-one (CID 166609763) is 7-bromo-4-chloro-6-methylchromen-2-one.
What is the SMILES notation for 7-bromo-4-chloro-6-methylchromen-2-one?
The canonical SMILES for 7-bromo-4-chloro-6-methylchromen-2-one is Cc1cc2c(Cl)cc(=O)oc2cc1Br.
What is the InChIKey of 7-bromo-4-chloro-6-methylchromen-2-one?
The InChIKey is TXHUXHWRUCZAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClO2/c1-5-2-6-8(12)4-10(13)14-9(6)3-7(5)11/h2-4H,1H3.
What are the key properties of 7-bromo-4-chloro-6-methylchromen-2-one?
7-bromo-4-chloro-6-methylchromen-2-one has a molecular weight of 273.51 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-6-methylchromen-2-one is sourced from PubChem (CID 166609763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).