1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H16BrClN2O5 — CID 4709177

IUPAC1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc(Br)c1O
InChIInChI=1S/C24H16BrClN2O5/c1-11-3-6-18(27-10-11)28-20(12-7-15(25)22(30)17(8-12)32-2)19-21(29)14-9-13(26)4-5-16(14)33-23(19)24(28)31/h3-10,20,30H,1-2H3
InChIKeyMFJCVHIWMBZLGF-UHFFFAOYSA-N
MW527.76 g/mol
LogP5.38
Rot. Bonds3

About 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4709177) has the molecular formula C24H16BrClN2O5 and a molecular weight of 527.76 g/mol. Its IUPAC name is 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4709177
Molecular FormulaC24H16BrClN2O5
Molecular Weight527.76 g/mol
Exact Mass525.99
IUPAC Name1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc(Br)c1O
InChIInChI=1S/C24H16BrClN2O5/c1-11-3-6-18(27-10-11)28-20(12-7-15(25)22(30)17(8-12)32-2)19-21(29)14-9-13(26)4-5-16(14)33-23(19)24(28)31/h3-10,20,30H,1-2H3
InChIKeyMFJCVHIWMBZLGF-UHFFFAOYSA-N
XLogP5.38
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.76
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(5-chloro-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1405557
7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709160
(1S)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27108840
7-chloro-1-(3-methoxyphenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709168
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(3-bromophenyl)-7-chloro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853479
7-bromo-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708788
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4704911
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853473
(1S)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1398900
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(3-bromophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857838
1-(4-chlorophenyl)-7-fluoro-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709103
7-chloro-2-(5-chloro-2-pyridinyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5110956

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4709177) is 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc(Br)c1O.
What is the InChIKey of 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is MFJCVHIWMBZLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrClN2O5/c1-11-3-6-18(27-10-11)28-20(12-7-15(25)22(30)17(8-12)32-2)19-21(29)14-9-13(26)4-5-16(14)33-23(19)24(28)31/h3-10,20,30H,1-2H3.
What are the key properties of 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 527.76 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4709177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).