(2-hydroxyphenyl)-pyridin-2-ylmethanone;methyl 3-formyl-4-hydroxybenzoate;methyl 4-hydroxy-3-[1-(2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]benzoate

C42H33N3O10 — CID 160669940

IUPAC(2-hydroxyphenyl)-pyridin-2-ylmethanone;methyl 3-formyl-4-hydroxybenzoate;methyl 4-hydroxy-3-[1-(2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]benzoate
SMILESCOC(=O)c1ccc(O)c(-c2nc(-c3ccccc3O)c3ccccn23)c1.COC(=O)c1ccc(O)c(C=O)c1.O=C(c1ccccn1)c1ccccc1O
InChIInChI=1S/C21H16N2O4.C12H9NO2.C9H8O4/c1-27-21(26)13-9-10-18(25)15(12-13)20-22-19(14-6-2-3-8-17(14)24)16-7-4-5-11-23(16)20;14-11-7-2-1-5-9(11)12(15)10-6-3-4-8-13-10;1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-12,24-25H,1H3;1-8,14H;2-5,11H,1H3
InChIKeyRMUICWAKXOBMND-UHFFFAOYSA-N
MW739.74 g/mol
LogP6.88
Rot. Bonds7

About (2-hydroxyphenyl)-pyridin-2-ylmethanone;methyl 3-formyl-4-hydroxybenzoate;methyl 4-hydroxy-3-[1-(2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]benzoate

(2-hydroxyphenyl)-pyridin-2-ylmethanone;methyl 3-formyl-4-hydroxybenzoate;methyl 4-hydroxy-3-[1-(2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]benzoate (PubChem CID 160669940) has the molecular formula C42H33N3O10 and a molecular weight of 739.74 g/mol. Its IUPAC name is (2-hydroxyphenyl)-pyridin-2-ylmethanone;methyl 3-formyl-4-hydroxybenzoate;methyl 4-hydroxy-3-[1-(2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]benzoate.

Molecular Properties

Compound Name(2-hydroxyphenyl)-pyridin-2-ylmethanone;methyl 3-formyl-4-hydroxybenzoate;methyl 4-hydroxy-3-[1-(2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]benzoate
PubChem CID160669940
Molecular FormulaC42H33N3O10
Molecular Weight739.74 g/mol
Exact Mass739.22
IUPAC Name(2-hydroxyphenyl)-pyridin-2-ylmethanone;methyl 3-formyl-4-hydroxybenzoate;methyl 4-hydroxy-3-[1-(2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]benzoate
SMILESCOC(=O)c1ccc(O)c(-c2nc(-c3ccccc3O)c3ccccn23)c1.COC(=O)c1ccc(O)c(C=O)c1.O=C(c1ccccn1)c1ccccc1O
InChIInChI=1S/C21H16N2O4.C12H9NO2.C9H8O4/c1-27-21(26)13-9-10-18(25)15(12-13)20-22-19(14-6-2-3-8-17(14)24)16-7-4-5-11-23(16)20;14-11-7-2-1-5-9(11)12(15)10-6-3-4-8-13-10;1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-12,24-25H,1H3;1-8,14H;2-5,11H,1H3
InChIKeyRMUICWAKXOBMND-UHFFFAOYSA-N
XLogP6.88
TPSA197.85 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500739.74
LogP ≤ 56.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 4-hydroxy-3-[1-(2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]benzoate;methyl 4-hydroxy-3-[1-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]benzoate
CID 160796678
2-hydroxybenzaldehyde;2-[7-(2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]phenol;(2-hydroxyphenyl)-pyridazin-3-ylmethanone
CID 162227873
3-(2-hydroxyphenyl)-7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005666
methyl 4-hydroxy-3-[1-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]benzoate
CID 160796679
2-[3-(2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]pyridin-3-ol
CID 155099199
methyl 1-(pyridine-2-carbonyl)indole-5-carboxylate
CID 175014240
[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-pyridin-2-ylmethanone
CID 11023969
3-[3-(2-hydroxy-5-methylphenyl)imidazo[1,5-a]pyridin-1-yl]-1H-pyridin-2-one
CID 155099236
methyl 4-(1-phenylimidazo[1,5-a]pyridine-3-carbonyl)benzoate
CID 163207395
methyl 3-(4-methylbenzoyl)indolizine-1-carboxylate
CID 51056212
methyl 4-hydroxy-3-phenylbenzoate
CID 15066016
methyl 3-methyl-4-pyridin-2-ylbenzoate
CID 24829012

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-pyridin-2-ylmethanone;methyl 3-formyl-4-hydroxybenzoate;methyl 4-hydroxy-3-[1-(2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]benzoate?
The IUPAC name of (2-hydroxyphenyl)-pyridin-2-ylmethanone;methyl 3-formyl-4-hydroxybenzoate;methyl 4-hydroxy-3-[1-(2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]benzoate (CID 160669940) is (2-hydroxyphenyl)-pyridin-2-ylmethanone;methyl 3-formyl-4-hydroxybenzoate;methyl 4-hydroxy-3-[1-(2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]benzoate.
What is the SMILES notation for (2-hydroxyphenyl)-pyridin-2-ylmethanone;methyl 3-formyl-4-hydroxybenzoate;methyl 4-hydroxy-3-[1-(2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]benzoate?
The canonical SMILES for (2-hydroxyphenyl)-pyridin-2-ylmethanone;methyl 3-formyl-4-hydroxybenzoate;methyl 4-hydroxy-3-[1-(2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]benzoate is COC(=O)c1ccc(O)c(-c2nc(-c3ccccc3O)c3ccccn23)c1.COC(=O)c1ccc(O)c(C=O)c1.O=C(c1ccccn1)c1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl)-pyridin-2-ylmethanone;methyl 3-formyl-4-hydroxybenzoate;methyl 4-hydroxy-3-[1-(2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]benzoate?
The InChIKey is RMUICWAKXOBMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4.C12H9NO2.C9H8O4/c1-27-21(26)13-9-10-18(25)15(12-13)20-22-19(14-6-2-3-8-17(14)24)16-7-4-5-11-23(16)20;14-11-7-2-1-5-9(11)12(15)10-6-3-4-8-13-10;1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-12,24-25H,1H3;1-8,14H;2-5,11H,1H3.
What are the key properties of (2-hydroxyphenyl)-pyridin-2-ylmethanone;methyl 3-formyl-4-hydroxybenzoate;methyl 4-hydroxy-3-[1-(2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]benzoate?
(2-hydroxyphenyl)-pyridin-2-ylmethanone;methyl 3-formyl-4-hydroxybenzoate;methyl 4-hydroxy-3-[1-(2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]benzoate has a molecular weight of 739.74 g/mol, XLogP of 6.88, 7 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-pyridin-2-ylmethanone;methyl 3-formyl-4-hydroxybenzoate;methyl 4-hydroxy-3-[1-(2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]benzoate is sourced from PubChem (CID 160669940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).