bis(2-hydroxybenzoic acid);4-[(E)-2-pyridin-4-ylethenyl]pyridine

C26H22N2O6 — CID 139148029

IUPACbis(2-hydroxybenzoic acid);4-[(E)-2-pyridin-4-ylethenyl]pyridine
SMILESC(=C/c1ccncc1)\c1ccncc1.O=C(O)c1ccccc1O.O=C(O)c1ccccc1O
InChIInChI=1S/C12H10N2.2C7H6O3/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;2*8-6-4-2-1-3-5(6)7(9)10/h1-10H;2*1-4,8H,(H,9,10)/b2-1+;;
InChIKeyPTXRBZBLZMQUKR-SEPHDYHBSA-N
MW458.47 g/mol
LogP4.83
Rot. Bonds4

About bis(2-hydroxybenzoic acid);4-[(E)-2-pyridin-4-ylethenyl]pyridine

bis(2-hydroxybenzoic acid);4-[(E)-2-pyridin-4-ylethenyl]pyridine (PubChem CID 139148029) has the molecular formula C26H22N2O6 and a molecular weight of 458.47 g/mol. Its IUPAC name is bis(2-hydroxybenzoic acid);4-[(E)-2-pyridin-4-ylethenyl]pyridine.

Molecular Properties

Compound Namebis(2-hydroxybenzoic acid);4-[(E)-2-pyridin-4-ylethenyl]pyridine
PubChem CID139148029
Molecular FormulaC26H22N2O6
Molecular Weight458.47 g/mol
Exact Mass458.15
IUPAC Namebis(2-hydroxybenzoic acid);4-[(E)-2-pyridin-4-ylethenyl]pyridine
SMILESC(=C/c1ccncc1)\c1ccncc1.O=C(O)c1ccccc1O.O=C(O)c1ccccc1O
InChIInChI=1S/C12H10N2.2C7H6O3/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;2*8-6-4-2-1-3-5(6)7(9)10/h1-10H;2*1-4,8H,(H,9,10)/b2-1+;;
InChIKeyPTXRBZBLZMQUKR-SEPHDYHBSA-N
XLogP4.83
TPSA140.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 54.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxybenzoic acid);4-[(E)-2-pyridin-4-ylethenyl]pyridine?
The IUPAC name of bis(2-hydroxybenzoic acid);4-[(E)-2-pyridin-4-ylethenyl]pyridine (CID 139148029) is bis(2-hydroxybenzoic acid);4-[(E)-2-pyridin-4-ylethenyl]pyridine.
What is the SMILES notation for bis(2-hydroxybenzoic acid);4-[(E)-2-pyridin-4-ylethenyl]pyridine?
The canonical SMILES for bis(2-hydroxybenzoic acid);4-[(E)-2-pyridin-4-ylethenyl]pyridine is C(=C/c1ccncc1)\c1ccncc1.O=C(O)c1ccccc1O.O=C(O)c1ccccc1O.
What is the InChIKey of bis(2-hydroxybenzoic acid);4-[(E)-2-pyridin-4-ylethenyl]pyridine?
The InChIKey is PTXRBZBLZMQUKR-SEPHDYHBSA-N. The full InChI is InChI=1S/C12H10N2.2C7H6O3/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;2*8-6-4-2-1-3-5(6)7(9)10/h1-10H;2*1-4,8H,(H,9,10)/b2-1+;;.
What are the key properties of bis(2-hydroxybenzoic acid);4-[(E)-2-pyridin-4-ylethenyl]pyridine?
bis(2-hydroxybenzoic acid);4-[(E)-2-pyridin-4-ylethenyl]pyridine has a molecular weight of 458.47 g/mol, XLogP of 4.83, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxybenzoic acid);4-[(E)-2-pyridin-4-ylethenyl]pyridine is sourced from PubChem (CID 139148029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).