2-(3-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid

C16H11N3O2 — CID 90992560

IUPAC2-(3-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ncccc2-c2ccccn2)c1
InChIInChI=1S/C16H11N3O2/c20-16(21)11-6-9-18-14(10-11)15-12(4-3-8-19-15)13-5-1-2-7-17-13/h1-10H,(H,20,21)
InChIKeyGLRAQVIVTCLTJA-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.90
Rot. Bonds3

About 2-(3-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid

2-(3-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid (PubChem CID 90992560) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-(3-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid
PubChem CID90992560
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name2-(3-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ncccc2-c2ccccn2)c1
InChIInChI=1S/C16H11N3O2/c20-16(21)11-6-9-18-14(10-11)15-12(4-3-8-19-15)13-5-1-2-7-17-13/h1-10H,(H,20,21)
InChIKeyGLRAQVIVTCLTJA-UHFFFAOYSA-N
XLogP2.90
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(3-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid (CID 90992560) is 2-(3-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2ncccc2-c2ccccn2)c1.
What is the InChIKey of 2-(3-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid?
The InChIKey is GLRAQVIVTCLTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c20-16(21)11-6-9-18-14(10-11)15-12(4-3-8-19-15)13-5-1-2-7-17-13/h1-10H,(H,20,21).
What are the key properties of 2-(3-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid?
2-(3-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 90992560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).