1-(3-bromophenyl)-7-chloro-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C19H13BrClNO4 — CID 665710

IUPAC1-(3-bromophenyl)-7-chloro-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc(Br)c2)N1CCO
InChIInChI=1S/C19H13BrClNO4/c20-11-3-1-2-10(8-11)16-15-17(24)13-9-12(21)4-5-14(13)26-18(15)19(25)22(16)6-7-23/h1-5,8-9,16,23H,6-7H2
InChIKeyJWXZAZJAQCQOEP-UHFFFAOYSA-N
MW434.67 g/mol
LogP3.75
Rot. Bonds3

About 1-(3-bromophenyl)-7-chloro-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-bromophenyl)-7-chloro-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 665710) has the molecular formula C19H13BrClNO4 and a molecular weight of 434.67 g/mol. Its IUPAC name is 1-(3-bromophenyl)-7-chloro-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-bromophenyl)-7-chloro-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID665710
Molecular FormulaC19H13BrClNO4
Molecular Weight434.67 g/mol
Exact Mass432.97
IUPAC Name1-(3-bromophenyl)-7-chloro-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc(Br)c2)N1CCO
InChIInChI=1S/C19H13BrClNO4/c20-11-3-1-2-10(8-11)16-15-17(24)13-9-12(21)4-5-14(13)26-18(15)19(25)22(16)6-7-23/h1-5,8-9,16,23H,6-7H2
InChIKeyJWXZAZJAQCQOEP-UHFFFAOYSA-N
XLogP3.75
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.67
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-7-chloro-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-bromophenyl)-7-chloro-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 665710) is 1-(3-bromophenyl)-7-chloro-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-bromophenyl)-7-chloro-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-bromophenyl)-7-chloro-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc(Br)c2)N1CCO.
What is the InChIKey of 1-(3-bromophenyl)-7-chloro-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is JWXZAZJAQCQOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrClNO4/c20-11-3-1-2-10(8-11)16-15-17(24)13-9-12(21)4-5-14(13)26-18(15)19(25)22(16)6-7-23/h1-5,8-9,16,23H,6-7H2.
What are the key properties of 1-(3-bromophenyl)-7-chloro-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-bromophenyl)-7-chloro-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 434.67 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-7-chloro-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 665710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).