2-(5,6-dipyridin-4-yl-2-pyridinyl)acetic acid

C17H13N3O2 — CID 131870394

IUPAC2-(5,6-dipyridin-4-yl-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1ccc(-c2ccncc2)c(-c2ccncc2)n1
InChIInChI=1S/C17H13N3O2/c21-16(22)11-14-1-2-15(12-3-7-18-8-4-12)17(20-14)13-5-9-19-10-6-13/h1-10H,11H2,(H,21,22)
InChIKeyARCBUIOKCVULOO-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.83
Rot. Bonds4

About 2-(5,6-dipyridin-4-yl-2-pyridinyl)acetic acid

2-(5,6-dipyridin-4-yl-2-pyridinyl)acetic acid (PubChem CID 131870394) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-(5,6-dipyridin-4-yl-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(5,6-dipyridin-4-yl-2-pyridinyl)acetic acid
PubChem CID131870394
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name2-(5,6-dipyridin-4-yl-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1ccc(-c2ccncc2)c(-c2ccncc2)n1
InChIInChI=1S/C17H13N3O2/c21-16(22)11-14-1-2-15(12-3-7-18-8-4-12)17(20-14)13-5-9-19-10-6-13/h1-10H,11H2,(H,21,22)
InChIKeyARCBUIOKCVULOO-UHFFFAOYSA-N
XLogP2.83
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine
CID 139087682
2-[6-fluoro-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 133089720
2-(2,3-dipyridin-4-yl-4-pyridinyl)acetic acid
CID 131870393
2-[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 131870429
2-(5-fluoro-6-pyridin-3-yl-2-pyridinyl)acetic acid
CID 131870101
2-(5-methoxy-2-pyridin-4-ylphenyl)acetic acid
CID 11528862
2-[5,6-bis(2,3,6-trichlorophenyl)-2-pyridinyl]acetic acid
CID 134637234
N-(5,6-dipyridin-4-yl-2-pyridinyl)cyclopropanecarboxamide
CID 46880510
2-[5-chloro-6-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid
CID 134636083
2-(4-fluoro-3-pyridin-4-ylphenyl)acetic acid
CID 46315783
[5,6-bis(4-chlorophenyl)-2-pyridinyl]methanol
CID 134227733
2-[6-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]acetic acid
CID 118990587

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dipyridin-4-yl-2-pyridinyl)acetic acid?
The IUPAC name of 2-(5,6-dipyridin-4-yl-2-pyridinyl)acetic acid (CID 131870394) is 2-(5,6-dipyridin-4-yl-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(5,6-dipyridin-4-yl-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(5,6-dipyridin-4-yl-2-pyridinyl)acetic acid is O=C(O)Cc1ccc(-c2ccncc2)c(-c2ccncc2)n1.
What is the InChIKey of 2-(5,6-dipyridin-4-yl-2-pyridinyl)acetic acid?
The InChIKey is ARCBUIOKCVULOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-16(22)11-14-1-2-15(12-3-7-18-8-4-12)17(20-14)13-5-9-19-10-6-13/h1-10H,11H2,(H,21,22).
What are the key properties of 2-(5,6-dipyridin-4-yl-2-pyridinyl)acetic acid?
2-(5,6-dipyridin-4-yl-2-pyridinyl)acetic acid has a molecular weight of 291.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dipyridin-4-yl-2-pyridinyl)acetic acid is sourced from PubChem (CID 131870394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).