(1R)-7-bromo-2-methyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C17H11BrN2O3 — CID 40540359

IUPAC(1R)-7-bromo-2-methyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1cccnc1
InChIInChI=1S/C17H11BrN2O3/c1-20-14(9-3-2-6-19-8-9)13-15(21)11-7-10(18)4-5-12(11)23-16(13)17(20)22/h2-8,14H,1H3/t14-/m1/s1
InChIKeyUPBKOAHEZUPEEL-CQSZACIVSA-N
MW371.19 g/mol
LogP3.13
Rot. Bonds1

About (1R)-7-bromo-2-methyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-7-bromo-2-methyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 40540359) has the molecular formula C17H11BrN2O3 and a molecular weight of 371.19 g/mol. Its IUPAC name is (1R)-7-bromo-2-methyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-7-bromo-2-methyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID40540359
Molecular FormulaC17H11BrN2O3
Molecular Weight371.19 g/mol
Exact Mass370.00
IUPAC Name(1R)-7-bromo-2-methyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1cccnc1
InChIInChI=1S/C17H11BrN2O3/c1-20-14(9-3-2-6-19-8-9)13-15(21)11-7-10(18)4-5-12(11)23-16(13)17(20)22/h2-8,14H,1H3/t14-/m1/s1
InChIKeyUPBKOAHEZUPEEL-CQSZACIVSA-N
XLogP3.13
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.19
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R)-7-bromo-2-methyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

7-bromo-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5153026
7-bromo-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4972896
(1R)-7-bromo-1-(4-methoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2023388
(1S)-1-(3-bromophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7741307
(1S)-7-bromo-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7735302
7-bromo-2-methyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879727
2-[(1R)-7-bromo-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium
CID 2242750
(1S)-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7379009
7-chloro-1-pyridin-3-yl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4902261
2-[3-(diethylamino)propyl]-7-ethyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472946
(1S)-7-fluoro-1-(4-fluorophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7741478
(1R)-2-[2-(dimethylamino)ethyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 941803

Frequently Asked Questions

What is the IUPAC name of (1R)-7-bromo-2-methyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-7-bromo-2-methyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 40540359) is (1R)-7-bromo-2-methyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-7-bromo-2-methyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-7-bromo-2-methyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1cccnc1.
What is the InChIKey of (1R)-7-bromo-2-methyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is UPBKOAHEZUPEEL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H11BrN2O3/c1-20-14(9-3-2-6-19-8-9)13-15(21)11-7-10(18)4-5-12(11)23-16(13)17(20)22/h2-8,14H,1H3/t14-/m1/s1.
What are the key properties of (1R)-7-bromo-2-methyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-7-bromo-2-methyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 371.19 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-bromo-2-methyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 40540359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).