(4S)-4-(6-chloro-4-oxochromen-3-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione

C18H12ClNO5 — CID 97263928

IUPAC(4S)-4-(6-chloro-4-oxochromen-3-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)[nH]1)[C@H](c1coc3ccc(Cl)cc3c1=O)CC(=O)O2
InChIInChI=1S/C18H12ClNO5/c1-8-4-14-16(18(23)20-8)10(6-15(21)25-14)12-7-24-13-3-2-9(19)5-11(13)17(12)22/h2-5,7,10H,6H2,1H3,(H,20,23)/t10-/m0/s1
InChIKeyNPYRURISHQKJAR-JTQLQIEISA-N
MW357.75 g/mol
LogP2.88
Rot. Bonds1

About (4S)-4-(6-chloro-4-oxochromen-3-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione

(4S)-4-(6-chloro-4-oxochromen-3-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 97263928) has the molecular formula C18H12ClNO5 and a molecular weight of 357.75 g/mol. Its IUPAC name is (4S)-4-(6-chloro-4-oxochromen-3-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name(4S)-4-(6-chloro-4-oxochromen-3-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID97263928
Molecular FormulaC18H12ClNO5
Molecular Weight357.75 g/mol
Exact Mass357.04
IUPAC Name(4S)-4-(6-chloro-4-oxochromen-3-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)[nH]1)[C@H](c1coc3ccc(Cl)cc3c1=O)CC(=O)O2
InChIInChI=1S/C18H12ClNO5/c1-8-4-14-16(18(23)20-8)10(6-15(21)25-14)12-7-24-13-3-2-9(19)5-11(13)17(12)22/h2-5,7,10H,6H2,1H3,(H,20,23)/t10-/m0/s1
InChIKeyNPYRURISHQKJAR-JTQLQIEISA-N
XLogP2.88
TPSA89.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.75
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(6-chloro-4-oxochromen-3-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of (4S)-4-(6-chloro-4-oxochromen-3-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (CID 97263928) is (4S)-4-(6-chloro-4-oxochromen-3-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for (4S)-4-(6-chloro-4-oxochromen-3-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for (4S)-4-(6-chloro-4-oxochromen-3-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is Cc1cc2c(c(=O)[nH]1)[C@H](c1coc3ccc(Cl)cc3c1=O)CC(=O)O2.
What is the InChIKey of (4S)-4-(6-chloro-4-oxochromen-3-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is NPYRURISHQKJAR-JTQLQIEISA-N. The full InChI is InChI=1S/C18H12ClNO5/c1-8-4-14-16(18(23)20-8)10(6-15(21)25-14)12-7-24-13-3-2-9(19)5-11(13)17(12)22/h2-5,7,10H,6H2,1H3,(H,20,23)/t10-/m0/s1.
What are the key properties of (4S)-4-(6-chloro-4-oxochromen-3-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
(4S)-4-(6-chloro-4-oxochromen-3-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 357.75 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(6-chloro-4-oxochromen-3-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 97263928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).