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

C32H26N4O4 — CID 139084964

IUPACbis(2-[(E)-2-pyridin-4-ylethenyl]pyridine);terephthalic acid
SMILESC(=C/c1ccccn1)\c1ccncc1.C(=C/c1ccccn1)\c1ccncc1.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/2C12H10N2.C8H6O4/c2*1-2-8-14-12(3-1)5-4-11-6-9-13-10-7-11;9-7(10)5-1-2-6(4-3-5)8(11)12/h2*1-10H;1-4H,(H,9,10)(H,11,12)/b2*5-4+;
InChIKeyFKGDHTWCNQBFRE-WDTNTSJCSA-N
MW530.58 g/mol
LogP6.38
Rot. Bonds6

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

bis(2-[(E)-2-pyridin-4-ylethenyl]pyridine);terephthalic acid (PubChem CID 139084964) has the molecular formula C32H26N4O4 and a molecular weight of 530.58 g/mol. Its IUPAC name is bis(2-[(E)-2-pyridin-4-ylethenyl]pyridine);terephthalic acid.

Molecular Properties

Compound Namebis(2-[(E)-2-pyridin-4-ylethenyl]pyridine);terephthalic acid
PubChem CID139084964
Molecular FormulaC32H26N4O4
Molecular Weight530.58 g/mol
Exact Mass530.20
IUPAC Namebis(2-[(E)-2-pyridin-4-ylethenyl]pyridine);terephthalic acid
SMILESC(=C/c1ccccn1)\c1ccncc1.C(=C/c1ccccn1)\c1ccncc1.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/2C12H10N2.C8H6O4/c2*1-2-8-14-12(3-1)5-4-11-6-9-13-10-7-11;9-7(10)5-1-2-6(4-3-5)8(11)12/h2*1-10H;1-4H,(H,9,10)(H,11,12)/b2*5-4+;
InChIKeyFKGDHTWCNQBFRE-WDTNTSJCSA-N
XLogP6.38
TPSA126.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.58
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(Pyridin-4-yl)quinoline-4-carboxylic acid
CID 26587
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CID 46316420
4-(5-Ethylpyridin-2-yl)benzoic acid
CID 647467
4-(5-Propylpyridin-2-yl)benzoic acid
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4-(5-Pentylpyridin-2-yl)benzoic acid
CID 2053671
5-(4-Fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25252842
5-(3-Fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25252992
5-(2-Fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25252995
5-Phenylbenzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25253303
5-(3-Aminophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25253460
2-phenyl-3-(4-pyridyl)-5-[(4-carboxy)phenyl]-1H-pyrrole
CID 44323661

Frequently Asked Questions

What is the IUPAC name of bis(2-[(E)-2-pyridin-4-ylethenyl]pyridine);terephthalic acid?
The IUPAC name of bis(2-[(E)-2-pyridin-4-ylethenyl]pyridine);terephthalic acid (CID 139084964) is bis(2-[(E)-2-pyridin-4-ylethenyl]pyridine);terephthalic acid.
What is the SMILES notation for bis(2-[(E)-2-pyridin-4-ylethenyl]pyridine);terephthalic acid?
The canonical SMILES for bis(2-[(E)-2-pyridin-4-ylethenyl]pyridine);terephthalic acid is C(=C/c1ccccn1)\c1ccncc1.C(=C/c1ccccn1)\c1ccncc1.O=C(O)c1ccc(C(=O)O)cc1.
What is the InChIKey of bis(2-[(E)-2-pyridin-4-ylethenyl]pyridine);terephthalic acid?
The InChIKey is FKGDHTWCNQBFRE-WDTNTSJCSA-N. The full InChI is InChI=1S/2C12H10N2.C8H6O4/c2*1-2-8-14-12(3-1)5-4-11-6-9-13-10-7-11;9-7(10)5-1-2-6(4-3-5)8(11)12/h2*1-10H;1-4H,(H,9,10)(H,11,12)/b2*5-4+;.
What are the key properties of bis(2-[(E)-2-pyridin-4-ylethenyl]pyridine);terephthalic acid?
bis(2-[(E)-2-pyridin-4-ylethenyl]pyridine);terephthalic acid has a molecular weight of 530.58 g/mol, XLogP of 6.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[(E)-2-pyridin-4-ylethenyl]pyridine);terephthalic acid is sourced from PubChem (CID 139084964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).