(2R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;pyridine-3-carboxylic acid

C22H19NO8 — CID 139144770

IUPAC(2R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;pyridine-3-carboxylic acid
SMILESCOc1ccc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O.O=C(O)c1cccnc1
InChIInChI=1S/C16H14O6.C6H5NO2/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14;8-6(9)5-2-1-3-7-4-5/h2-6,14,17-19H,7H2,1H3;1-4H,(H,8,9)/t14-;/m1./s1
InChIKeyDZIQDWJPGHLOCX-PFEQFJNWSA-N
MW425.39 g/mol
LogP3.30
Rot. Bonds3

About (2R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;pyridine-3-carboxylic acid

(2R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;pyridine-3-carboxylic acid (PubChem CID 139144770) has the molecular formula C22H19NO8 and a molecular weight of 425.39 g/mol. Its IUPAC name is (2R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;pyridine-3-carboxylic acid.

Molecular Properties

Compound Name(2R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;pyridine-3-carboxylic acid
PubChem CID139144770
Molecular FormulaC22H19NO8
Molecular Weight425.39 g/mol
Exact Mass425.11
IUPAC Name(2R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;pyridine-3-carboxylic acid
SMILESCOc1ccc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O.O=C(O)c1cccnc1
InChIInChI=1S/C16H14O6.C6H5NO2/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14;8-6(9)5-2-1-3-7-4-5/h2-6,14,17-19H,7H2,1H3;1-4H,(H,8,9)/t14-;/m1./s1
InChIKeyDZIQDWJPGHLOCX-PFEQFJNWSA-N
XLogP3.30
TPSA146.41 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 53.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;pyridine-3-carboxylic acid with MolForge

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Related Compounds

3-({methyl[3-({5-oxo-5H-chromeno[2,3-b]pyridin-8-yl}oxy)propyl]amino}methyl)phenyl N-methylcarbamate hydrochloride
CID 10368032
3-({methyl[3-({5-oxo-5H-chromeno[2,3-b]pyridin-8-yl}oxy)propyl]amino}methyl)phenyl N-heptylcarbamate hydrochloride
CID 10721720
Bostrycoidin
CID 72631
3-({methyl[3-({5-oxo-5H-chromeno[2,3-b]pyridin-8-yl}oxy)propyl]amino}methyl)phenyl N-butylcarbamate hydrochloride
CID 10792213
[2-(3,4-Dimethoxyphenyl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2106027
7-Methoxy-2-(pyridin-3-YL)chroman-4-one
CID 10777387
[6-Methoxy-2-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 11633757
6-[4-(4-Acetyl-3-hydroxy-2-propyl-phenoxymethyl)-phenoxy]-nicotinic acid
CID 59599515
2-[3-[(4-Acetyl-3-hydroxy-2-propylphenoxy)methyl]phenoxy]pyridine-4-carboxylic acid
CID 59599576
[(5R,5aR,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] 2-methoxypyridine-3-carboxylate
CID 144849742
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(pyridine-3-carbonyl)piperazin-1-yl]methyl]chromen-4-one
CID 164618315
3-(3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl nicotinate
CID 1181201

Frequently Asked Questions

What is the IUPAC name of (2R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;pyridine-3-carboxylic acid?
The IUPAC name of (2R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;pyridine-3-carboxylic acid (CID 139144770) is (2R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;pyridine-3-carboxylic acid.
What is the SMILES notation for (2R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;pyridine-3-carboxylic acid?
The canonical SMILES for (2R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;pyridine-3-carboxylic acid is COc1ccc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O.O=C(O)c1cccnc1.
What is the InChIKey of (2R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;pyridine-3-carboxylic acid?
The InChIKey is DZIQDWJPGHLOCX-PFEQFJNWSA-N. The full InChI is InChI=1S/C16H14O6.C6H5NO2/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14;8-6(9)5-2-1-3-7-4-5/h2-6,14,17-19H,7H2,1H3;1-4H,(H,8,9)/t14-;/m1./s1.
What are the key properties of (2R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;pyridine-3-carboxylic acid?
(2R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;pyridine-3-carboxylic acid has a molecular weight of 425.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;pyridine-3-carboxylic acid is sourced from PubChem (CID 139144770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).