bis(4-hydroxybenzoic acid);4-(2-pyridin-4-ylethyl)pyridine

C26H24N2O6 — CID 139144830

IUPACbis(4-hydroxybenzoic acid);4-(2-pyridin-4-ylethyl)pyridine
SMILESO=C(O)c1ccc(O)cc1.O=C(O)c1ccc(O)cc1.c1cc(CCc2ccncc2)ccn1
InChIInChI=1S/C12H12N2.2C7H6O3/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;2*8-6-3-1-5(2-4-6)7(9)10/h3-10H,1-2H2;2*1-4,8H,(H,9,10)
InChIKeyNAJDQHIOUYHEKR-UHFFFAOYSA-N
MW460.49 g/mol
LogP4.44
Rot. Bonds5

About bis(4-hydroxybenzoic acid);4-(2-pyridin-4-ylethyl)pyridine

bis(4-hydroxybenzoic acid);4-(2-pyridin-4-ylethyl)pyridine (PubChem CID 139144830) has the molecular formula C26H24N2O6 and a molecular weight of 460.49 g/mol. Its IUPAC name is bis(4-hydroxybenzoic acid);4-(2-pyridin-4-ylethyl)pyridine.

Molecular Properties

Compound Namebis(4-hydroxybenzoic acid);4-(2-pyridin-4-ylethyl)pyridine
PubChem CID139144830
Molecular FormulaC26H24N2O6
Molecular Weight460.49 g/mol
Exact Mass460.16
IUPAC Namebis(4-hydroxybenzoic acid);4-(2-pyridin-4-ylethyl)pyridine
SMILESO=C(O)c1ccc(O)cc1.O=C(O)c1ccc(O)cc1.c1cc(CCc2ccncc2)ccn1
InChIInChI=1S/C12H12N2.2C7H6O3/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;2*8-6-3-1-5(2-4-6)7(9)10/h3-10H,1-2H2;2*1-4,8H,(H,9,10)
InChIKeyNAJDQHIOUYHEKR-UHFFFAOYSA-N
XLogP4.44
TPSA140.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 54.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-1-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 5920835
CA standard inhibitor, 2
CID 19564789
3,5-Di(Pyridin-4-Yl)benzoic Acid
CID 46316420
(Z)-[Phenyl(pyridin-4-YL)methylidene]amino 4-methoxybenzoate
CID 6383144
[16-(4-Hydroxy-2-methylphenyl)-16-oxohexadecyl]-diphenyl-pyridin-2-ylphosphanium bromide
CID 155520486
(4-Hydroxyphenyl)-2-pyridinylmethanone
CID 36317
1-(2,4-Dihydroxyphenyl)-3-(pyridin-4-yl)propenone (6)
CID 10657726
(E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-ylprop-2-en-1-one
CID 44578677
(E)-1-[4-[4-[[2-hydroxy-5-[(E)-3-pyridin-3-ylprop-2-enoyl]phenyl]methyl]piperazin-1-yl]phenyl]-3-pyridin-3-ylprop-2-en-1-one
CID 52938981
(E)-1-(3-hydroxyphenyl)-3-(4-pyridin-4-ylphenyl)prop-2-en-1-one
CID 155518810
(E)-1-(3-hydroxyphenyl)-3-(4-pyridin-3-ylphenyl)prop-2-en-1-one
CID 155530544
(E)-1-[2,4-dihydroxy-5-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]-3-pyridin-2-ylprop-2-en-1-one
CID 56968155

Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxybenzoic acid);4-(2-pyridin-4-ylethyl)pyridine?
The IUPAC name of bis(4-hydroxybenzoic acid);4-(2-pyridin-4-ylethyl)pyridine (CID 139144830) is bis(4-hydroxybenzoic acid);4-(2-pyridin-4-ylethyl)pyridine.
What is the SMILES notation for bis(4-hydroxybenzoic acid);4-(2-pyridin-4-ylethyl)pyridine?
The canonical SMILES for bis(4-hydroxybenzoic acid);4-(2-pyridin-4-ylethyl)pyridine is O=C(O)c1ccc(O)cc1.O=C(O)c1ccc(O)cc1.c1cc(CCc2ccncc2)ccn1.
What is the InChIKey of bis(4-hydroxybenzoic acid);4-(2-pyridin-4-ylethyl)pyridine?
The InChIKey is NAJDQHIOUYHEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.2C7H6O3/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;2*8-6-3-1-5(2-4-6)7(9)10/h3-10H,1-2H2;2*1-4,8H,(H,9,10).
What are the key properties of bis(4-hydroxybenzoic acid);4-(2-pyridin-4-ylethyl)pyridine?
bis(4-hydroxybenzoic acid);4-(2-pyridin-4-ylethyl)pyridine has a molecular weight of 460.49 g/mol, XLogP of 4.44, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxybenzoic acid);4-(2-pyridin-4-ylethyl)pyridine is sourced from PubChem (CID 139144830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).