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

C22H12ClN3O5 — CID 1424318

IUPAC(1R)-7-chloro-1-(3-nitrophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccn1
InChIInChI=1S/C22H12ClN3O5/c23-13-7-8-16-15(11-13)20(27)18-19(12-4-3-5-14(10-12)26(29)30)25(22(28)21(18)31-16)17-6-1-2-9-24-17/h1-11,19H/t19-/m1/s1
InChIKeyILWWDVCWEATRBH-LJQANCHMSA-N
MW433.81 g/mol
LogP4.50
Rot. Bonds3

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

(1R)-7-chloro-1-(3-nitrophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 1424318) has the molecular formula C22H12ClN3O5 and a molecular weight of 433.81 g/mol. Its IUPAC name is (1R)-7-chloro-1-(3-nitrophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-7-chloro-1-(3-nitrophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID1424318
Molecular FormulaC22H12ClN3O5
Molecular Weight433.81 g/mol
Exact Mass433.05
IUPAC Name(1R)-7-chloro-1-(3-nitrophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccn1
InChIInChI=1S/C22H12ClN3O5/c23-13-7-8-16-15(11-13)20(27)18-19(12-4-3-5-14(10-12)26(29)30)25(22(28)21(18)31-16)17-6-1-2-9-24-17/h1-11,19H/t19-/m1/s1
InChIKeyILWWDVCWEATRBH-LJQANCHMSA-N
XLogP4.50
TPSA106.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.81
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-chloro-1-(4-nitrophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3593868
1-(3-nitrophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4615589
7-chloro-2-(3-methylphenyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853018
7-chloro-1-(3-ethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708932
(1S)-1-(3-chlorophenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7578256
7-chloro-1-(4-methylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3876919
2-(4-methyl-2-pyridinyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4535068
1-(4-tert-butylphenyl)-7-chloro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3662182
2-(6-methyl-2-pyridinyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3970415
1-(4-chlorophenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708858
1-(3-fluorophenyl)-7-methyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4043740
(1R)-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7596232

Frequently Asked Questions

What is the IUPAC name of (1R)-7-chloro-1-(3-nitrophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-7-chloro-1-(3-nitrophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 1424318) is (1R)-7-chloro-1-(3-nitrophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-7-chloro-1-(3-nitrophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-7-chloro-1-(3-nitrophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccn1.
What is the InChIKey of (1R)-7-chloro-1-(3-nitrophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ILWWDVCWEATRBH-LJQANCHMSA-N. The full InChI is InChI=1S/C22H12ClN3O5/c23-13-7-8-16-15(11-13)20(27)18-19(12-4-3-5-14(10-12)26(29)30)25(22(28)21(18)31-16)17-6-1-2-9-24-17/h1-11,19H/t19-/m1/s1.
What are the key properties of (1R)-7-chloro-1-(3-nitrophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-7-chloro-1-(3-nitrophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 433.81 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-chloro-1-(3-nitrophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 1424318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).