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

C15H12ClNO4 — CID 97045790

IUPAC(4S)-4-(3-chloro-4-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)[nH]1)[C@H](c1ccc(O)c(Cl)c1)CC(=O)O2
InChIInChI=1S/C15H12ClNO4/c1-7-4-12-14(15(20)17-7)9(6-13(19)21-12)8-2-3-11(18)10(16)5-8/h2-5,9,18H,6H2,1H3,(H,17,20)/t9-/m0/s1
InChIKeyHEURQCDPYGHEMK-VIFPVBQESA-N
MW305.72 g/mol
LogP2.48
Rot. Bonds1

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

(4S)-4-(3-chloro-4-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 97045790) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is (4S)-4-(3-chloro-4-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name(4S)-4-(3-chloro-4-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID97045790
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name(4S)-4-(3-chloro-4-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)[nH]1)[C@H](c1ccc(O)c(Cl)c1)CC(=O)O2
InChIInChI=1S/C15H12ClNO4/c1-7-4-12-14(15(20)17-7)9(6-13(19)21-12)8-2-3-11(18)10(16)5-8/h2-5,9,18H,6H2,1H3,(H,17,20)/t9-/m0/s1
InChIKeyHEURQCDPYGHEMK-VIFPVBQESA-N
XLogP2.48
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-4-(3-chloro-4-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione with MolForge

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Related Compounds

(4S)-4-(3-chlorophenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97266190
(4R)-4-(3-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 99992771
4-(3,4-dimethoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71754880
4-(7-chloro-1,3-benzodioxol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71703159
4-(4-methoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71755298
(4S)-4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97264954
4-(3,4-dihydroxyphenyl)-5-hydroxy-7-methyl-3,4-dihydrochromen-2-one
CID 166157634
(4S)-4-[4-(difluoromethoxy)-3-methoxyphenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97265482
2-[2-methoxy-4-[(4S)-7-methyl-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridin-4-yl]phenoxy]acetic acid
CID 97046144
4-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71754610
(4R)-4-[3-(difluoromethoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97263524
(4R)-4-(2,4-difluorophenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97266734

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-chloro-4-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of (4S)-4-(3-chloro-4-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (CID 97045790) is (4S)-4-(3-chloro-4-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for (4S)-4-(3-chloro-4-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for (4S)-4-(3-chloro-4-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is Cc1cc2c(c(=O)[nH]1)[C@H](c1ccc(O)c(Cl)c1)CC(=O)O2.
What is the InChIKey of (4S)-4-(3-chloro-4-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is HEURQCDPYGHEMK-VIFPVBQESA-N. The full InChI is InChI=1S/C15H12ClNO4/c1-7-4-12-14(15(20)17-7)9(6-13(19)21-12)8-2-3-11(18)10(16)5-8/h2-5,9,18H,6H2,1H3,(H,17,20)/t9-/m0/s1.
What are the key properties of (4S)-4-(3-chloro-4-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
(4S)-4-(3-chloro-4-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 305.72 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-chloro-4-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 97045790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).