2-(2,3-dipyridin-4-yl-4-pyridinyl)acetic acid

C17H13N3O2 — CID 131870393

IUPAC2-(2,3-dipyridin-4-yl-4-pyridinyl)acetic acid
SMILESO=C(O)Cc1ccnc(-c2ccncc2)c1-c1ccncc1
InChIInChI=1S/C17H13N3O2/c21-15(22)11-14-5-10-20-17(13-3-8-19-9-4-13)16(14)12-1-6-18-7-2-12/h1-10H,11H2,(H,21,22)
InChIKeyCVIMGLFWOMRYGE-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.83
Rot. Bonds4

About 2-(2,3-dipyridin-4-yl-4-pyridinyl)acetic acid

2-(2,3-dipyridin-4-yl-4-pyridinyl)acetic acid (PubChem CID 131870393) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-(2,3-dipyridin-4-yl-4-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(2,3-dipyridin-4-yl-4-pyridinyl)acetic acid
PubChem CID131870393
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name2-(2,3-dipyridin-4-yl-4-pyridinyl)acetic acid
SMILESO=C(O)Cc1ccnc(-c2ccncc2)c1-c1ccncc1
InChIInChI=1S/C17H13N3O2/c21-15(22)11-14-5-10-20-17(13-3-8-19-9-4-13)16(14)12-1-6-18-7-2-12/h1-10H,11H2,(H,21,22)
InChIKeyCVIMGLFWOMRYGE-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
4-methyl-2,3-dipyridin-4-ylpyridine
CID 46316601
2-(5,6-dipyridin-4-yl-2-pyridinyl)acetic acid
CID 131870394
2-(3-methoxy-2-phenyl-4-pyridinyl)acetic acid
CID 133095598
2-(1-phenylisoquinolin-5-yl)acetic acid
CID 12851870
4-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine
CID 131869642
2-(2-fluoro-4-pyridin-4-ylphenyl)acetic acid
CID 46315787
2,3-bis[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 134617538
4-(bromomethyl)-2-fluoro-3-pyridin-4-ylpyridine
CID 118845199
2-[3-fluoro-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134637597
2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)acetic acid
CID 70723096
2-[3-(4-ethylphenyl)pyrazin-2-yl]acetic acid
CID 82477699

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dipyridin-4-yl-4-pyridinyl)acetic acid?
The IUPAC name of 2-(2,3-dipyridin-4-yl-4-pyridinyl)acetic acid (CID 131870393) is 2-(2,3-dipyridin-4-yl-4-pyridinyl)acetic acid.
What is the SMILES notation for 2-(2,3-dipyridin-4-yl-4-pyridinyl)acetic acid?
The canonical SMILES for 2-(2,3-dipyridin-4-yl-4-pyridinyl)acetic acid is O=C(O)Cc1ccnc(-c2ccncc2)c1-c1ccncc1.
What is the InChIKey of 2-(2,3-dipyridin-4-yl-4-pyridinyl)acetic acid?
The InChIKey is CVIMGLFWOMRYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-15(22)11-14-5-10-20-17(13-3-8-19-9-4-13)16(14)12-1-6-18-7-2-12/h1-10H,11H2,(H,21,22).
What are the key properties of 2-(2,3-dipyridin-4-yl-4-pyridinyl)acetic acid?
2-(2,3-dipyridin-4-yl-4-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-(2,3-dipyridin-4-yl-4-pyridinyl)acetic acid is sourced from PubChem (CID 131870393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).