2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H12ClFN2O3 — CID 3333108

IUPAC2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2ccc(F)cc2)N1c1ccc(Cl)cn1
InChIInChI=1S/C22H12ClFN2O3/c23-13-7-10-17(25-11-13)26-19(12-5-8-14(24)9-6-12)18-20(27)15-3-1-2-4-16(15)29-21(18)22(26)28/h1-11,19H
InChIKeyJNPIDRGCQPDPTJ-UHFFFAOYSA-N
MW406.80 g/mol
LogP4.73
Rot. Bonds2

About 2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3333108) has the molecular formula C22H12ClFN2O3 and a molecular weight of 406.80 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID3333108
Molecular FormulaC22H12ClFN2O3
Molecular Weight406.80 g/mol
Exact Mass406.05
IUPAC Name2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2ccc(F)cc2)N1c1ccc(Cl)cn1
InChIInChI=1S/C22H12ClFN2O3/c23-13-7-10-17(25-11-13)26-19(12-5-8-14(24)9-6-12)18-20(27)15-3-1-2-4-16(15)29-21(18)22(26)28/h1-11,19H
InChIKeyJNPIDRGCQPDPTJ-UHFFFAOYSA-N
XLogP4.73
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.80
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-pyridinyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5238749
2-(5-chloro-2-pyridinyl)-1-(4-ethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3529831
1-(3-chlorophenyl)-2-(5-chloro-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4254732
2-(5-chloro-2-pyridinyl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4563275
2-(5-chloro-2-pyridinyl)-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3285345
1-(4-chlorophenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708858
1-(4-fluorophenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4212829
1-(4-chlorophenyl)-7-fluoro-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709103
(1S)-2-(5-chloro-2-pyridinyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2008909
7-bromo-2-(5-chloro-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5214330
7-chloro-2-(5-chloro-2-pyridinyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5110956
1-(4-fluorophenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852061

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3333108) is 2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2C(c2ccc(F)cc2)N1c1ccc(Cl)cn1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is JNPIDRGCQPDPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12ClFN2O3/c23-13-7-10-17(25-11-13)26-19(12-5-8-14(24)9-6-12)18-20(27)15-3-1-2-4-16(15)29-21(18)22(26)28/h1-11,19H.
What are the key properties of 2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 406.80 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3333108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).