5-amino-2-(4-amino-3-fluorophenyl)-7-bromo-6,8-difluorochromen-4-one

C15H8BrF3N2O2 — CID 10786298

IUPAC5-amino-2-(4-amino-3-fluorophenyl)-7-bromo-6,8-difluorochromen-4-one
SMILESNc1ccc(-c2cc(=O)c3c(N)c(F)c(Br)c(F)c3o2)cc1F
InChIInChI=1S/C15H8BrF3N2O2/c16-11-12(18)14(21)10-8(22)4-9(23-15(10)13(11)19)5-1-2-7(20)6(17)3-5/h1-4H,20-21H2
InChIKeyDVWYDGOKTJGSPQ-UHFFFAOYSA-N
MW385.14 g/mol
LogP3.80
Rot. Bonds1

About 5-amino-2-(4-amino-3-fluorophenyl)-7-bromo-6,8-difluorochromen-4-one

5-amino-2-(4-amino-3-fluorophenyl)-7-bromo-6,8-difluorochromen-4-one (PubChem CID 10786298) has the molecular formula C15H8BrF3N2O2 and a molecular weight of 385.14 g/mol. Its IUPAC name is 5-amino-2-(4-amino-3-fluorophenyl)-7-bromo-6,8-difluorochromen-4-one.

Molecular Properties

Compound Name5-amino-2-(4-amino-3-fluorophenyl)-7-bromo-6,8-difluorochromen-4-one
PubChem CID10786298
Molecular FormulaC15H8BrF3N2O2
Molecular Weight385.14 g/mol
Exact Mass383.97
IUPAC Name5-amino-2-(4-amino-3-fluorophenyl)-7-bromo-6,8-difluorochromen-4-one
SMILESNc1ccc(-c2cc(=O)c3c(N)c(F)c(Br)c(F)c3o2)cc1F
InChIInChI=1S/C15H8BrF3N2O2/c16-11-12(18)14(21)10-8(22)4-9(23-15(10)13(11)19)5-1-2-7(20)6(17)3-5/h1-4H,20-21H2
InChIKeyDVWYDGOKTJGSPQ-UHFFFAOYSA-N
XLogP3.80
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.14
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one
CID 389710
5-Amino-2-(4-aminophenyl)-6,8-difluoro-4H-1-benzopyran-4-one
CID 9817398
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-4H-1-benzopyran-4-one
CID 10267124
5-Amino-2-(4-aminophenyl)chromen-4-one
CID 10422310
5-Amino-2-(4-bromophenyl)chromen-4-one
CID 10495586
5-Amino-2-(4-amino-3-fluorophenyl)-7-azido-6,8-difluorochromen-4-one
CID 10497825
5-Amino-2-(4-amino-3,5-difluorophenyl)-6,8-difluorochromen-4-one
CID 10592039
5-Amino-2-(4-aminophenyl)-6-fluorochromen-4-one
CID 10683448
5-Amino-2-(4-aminophenyl)-8-fluorochromen-4-one
CID 10754491
5,7-Diamino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one
CID 10853185
5-Amino-2-(4-amino-3-fluorophenyl)-7-ethyl-6,8-difluorochromen-4-one
CID 10854145
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-dimethylchromen-4-one
CID 10709180

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-amino-3-fluorophenyl)-7-bromo-6,8-difluorochromen-4-one?
The IUPAC name of 5-amino-2-(4-amino-3-fluorophenyl)-7-bromo-6,8-difluorochromen-4-one (CID 10786298) is 5-amino-2-(4-amino-3-fluorophenyl)-7-bromo-6,8-difluorochromen-4-one.
What is the SMILES notation for 5-amino-2-(4-amino-3-fluorophenyl)-7-bromo-6,8-difluorochromen-4-one?
The canonical SMILES for 5-amino-2-(4-amino-3-fluorophenyl)-7-bromo-6,8-difluorochromen-4-one is Nc1ccc(-c2cc(=O)c3c(N)c(F)c(Br)c(F)c3o2)cc1F.
What is the InChIKey of 5-amino-2-(4-amino-3-fluorophenyl)-7-bromo-6,8-difluorochromen-4-one?
The InChIKey is DVWYDGOKTJGSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF3N2O2/c16-11-12(18)14(21)10-8(22)4-9(23-15(10)13(11)19)5-1-2-7(20)6(17)3-5/h1-4H,20-21H2.
What are the key properties of 5-amino-2-(4-amino-3-fluorophenyl)-7-bromo-6,8-difluorochromen-4-one?
5-amino-2-(4-amino-3-fluorophenyl)-7-bromo-6,8-difluorochromen-4-one has a molecular weight of 385.14 g/mol, XLogP of 3.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-amino-3-fluorophenyl)-7-bromo-6,8-difluorochromen-4-one is sourced from PubChem (CID 10786298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).