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

C15H12ClNO3 — CID 97266190

IUPAC(4S)-4-(3-chlorophenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)[nH]1)[C@H](c1cccc(Cl)c1)CC(=O)O2
InChIInChI=1S/C15H12ClNO3/c1-8-5-12-14(15(19)17-8)11(7-13(18)20-12)9-3-2-4-10(16)6-9/h2-6,11H,7H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyBCQIQECSLNAMID-NSHDSACASA-N
MW289.72 g/mol
LogP2.78
Rot. Bonds1

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

(4S)-4-(3-chlorophenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 97266190) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is (4S)-4-(3-chlorophenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name(4S)-4-(3-chlorophenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID97266190
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name(4S)-4-(3-chlorophenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)[nH]1)[C@H](c1cccc(Cl)c1)CC(=O)O2
InChIInChI=1S/C15H12ClNO3/c1-8-5-12-14(15(19)17-8)11(7-13(18)20-12)9-3-2-4-10(16)6-9/h2-6,11H,7H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyBCQIQECSLNAMID-NSHDSACASA-N
XLogP2.78
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Launch Full Analysis

Related Compounds

(4R)-4-(3-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 99992771
(4S)-4-(3-chloro-4-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97045790
(4R)-4-[3-(difluoromethoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97263524
4-(3,4-dimethoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71754880
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-(7-chloro-1,3-benzodioxol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71703159
7-methyl-4-[3-(pyridin-3-ylmethoxy)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71703768
(4S)-4-(6-chloro-4-oxochromen-3-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97263928
(4R)-4-(2,4-difluorophenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97266734
(4S)-4-[4-(difluoromethoxy)-3-methoxyphenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97265482
7-methyl-4-quinoxalin-5-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71701331

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-chlorophenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of (4S)-4-(3-chlorophenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (CID 97266190) is (4S)-4-(3-chlorophenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for (4S)-4-(3-chlorophenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for (4S)-4-(3-chlorophenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is Cc1cc2c(c(=O)[nH]1)[C@H](c1cccc(Cl)c1)CC(=O)O2.
What is the InChIKey of (4S)-4-(3-chlorophenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is BCQIQECSLNAMID-NSHDSACASA-N. The full InChI is InChI=1S/C15H12ClNO3/c1-8-5-12-14(15(19)17-8)11(7-13(18)20-12)9-3-2-4-10(16)6-9/h2-6,11H,7H2,1H3,(H,17,19)/t11-/m0/s1.
What are the key properties of (4S)-4-(3-chlorophenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
(4S)-4-(3-chlorophenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 289.72 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-chlorophenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 97266190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).