methyl 4-hydroxy-3,5-dipyridin-2-ylbenzoate

C18H14N2O3 — CID 135496844

IUPACmethyl 4-hydroxy-3,5-dipyridin-2-ylbenzoate
SMILESCOC(=O)c1cc(-c2ccccn2)c(O)c(-c2ccccn2)c1
InChIInChI=1S/C18H14N2O3/c1-23-18(22)12-10-13(15-6-2-4-8-19-15)17(21)14(11-12)16-7-3-5-9-20-16/h2-11,21H,1H3
InChIKeyKNOHCZJWPSXOSD-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.30
Rot. Bonds3

About methyl 4-hydroxy-3,5-dipyridin-2-ylbenzoate

methyl 4-hydroxy-3,5-dipyridin-2-ylbenzoate (PubChem CID 135496844) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is methyl 4-hydroxy-3,5-dipyridin-2-ylbenzoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-3,5-dipyridin-2-ylbenzoate
PubChem CID135496844
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Namemethyl 4-hydroxy-3,5-dipyridin-2-ylbenzoate
SMILESCOC(=O)c1cc(-c2ccccn2)c(O)c(-c2ccccn2)c1
InChIInChI=1S/C18H14N2O3/c1-23-18(22)12-10-13(15-6-2-4-8-19-15)17(21)14(11-12)16-7-3-5-9-20-16/h2-11,21H,1H3
InChIKeyKNOHCZJWPSXOSD-UHFFFAOYSA-N
XLogP3.30
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methoxy-3-pyridin-2-ylbenzoate
CID 70840507
methyl 3-methyl-4-pyridin-2-ylbenzoate
CID 24829012
methyl 5-bromo-4-pyridin-2-ylthiophene-2-carboxylate
CID 169144350
3-O-ethyl 6-O-methyl 1-pyridin-2-ylindolizine-3,6-dicarboxylate
CID 21234424
CID 159558349
CID 159558349
methyl 6-methyl-4-pyridin-2-ylquinoline-2-carboxylate
CID 141467624
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031
ethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate
CID 178133998
methyl 3,6-dipyridin-2-ylpyridazine-4-carboxylate
CID 6417972
2,6-bis(2-pyridin-2-ylphenyl)phenol
CID 175876654
methyl 6-bromo-4-pyridin-2-ylquinoline-2-carboxylate
CID 141467629
methyl 2-chloro-5-methylsulfonyl-4-pyridin-2-ylbenzoate
CID 18919989

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-3,5-dipyridin-2-ylbenzoate?
The IUPAC name of methyl 4-hydroxy-3,5-dipyridin-2-ylbenzoate (CID 135496844) is methyl 4-hydroxy-3,5-dipyridin-2-ylbenzoate.
What is the SMILES notation for methyl 4-hydroxy-3,5-dipyridin-2-ylbenzoate?
The canonical SMILES for methyl 4-hydroxy-3,5-dipyridin-2-ylbenzoate is COC(=O)c1cc(-c2ccccn2)c(O)c(-c2ccccn2)c1.
What is the InChIKey of methyl 4-hydroxy-3,5-dipyridin-2-ylbenzoate?
The InChIKey is KNOHCZJWPSXOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-23-18(22)12-10-13(15-6-2-4-8-19-15)17(21)14(11-12)16-7-3-5-9-20-16/h2-11,21H,1H3.
What are the key properties of methyl 4-hydroxy-3,5-dipyridin-2-ylbenzoate?
methyl 4-hydroxy-3,5-dipyridin-2-ylbenzoate has a molecular weight of 306.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-3,5-dipyridin-2-ylbenzoate is sourced from PubChem (CID 135496844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).