6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylic acid

C16H11N3O2 — CID 90938789

IUPAC6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cccc(-c3ccccn3)n2)n1
InChIInChI=1S/C16H11N3O2/c20-16(21)15-9-4-8-14(19-15)13-7-3-6-12(18-13)11-5-1-2-10-17-11/h1-10H,(H,20,21)
InChIKeyNWIMNBYPPIEFTJ-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.90
Rot. Bonds3

About 6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylic acid

6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylic acid (PubChem CID 90938789) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylic acid
PubChem CID90938789
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cccc(-c3ccccn3)n2)n1
InChIInChI=1S/C16H11N3O2/c20-16(21)15-9-4-8-14(19-15)13-7-3-6-12(18-13)11-5-1-2-10-17-11/h1-10H,(H,20,21)
InChIKeyNWIMNBYPPIEFTJ-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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Related Compounds

Fusaric Acid
CID 3442
Picolinic acid
CID 1018
Chromium(III) picolinate
CID 151932
Zinc Picolinate
CID 9904746
2-Pyridinecarboxylic acid, hydrochloride (1:1)
CID 71559
Chromium tripicolinate
CID 56840998
Pyridine-2-carboxylic acid 1-oxide
CID 69986
Chromium picolinate monohydrate
CID 22833491
4-Iodopyridine-2-carboxylic acid
CID 818278
alpha-Pyridoin
CID 95624
4-(Piperidin-1-yl)picolinic acid
CID 270402
5-Cyclohexylpicolinic acid
CID 658651

Frequently Asked Questions

What is the IUPAC name of 6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylic acid (CID 90938789) is 6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2cccc(-c3ccccn3)n2)n1.
What is the InChIKey of 6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylic acid?
The InChIKey is NWIMNBYPPIEFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c20-16(21)15-9-4-8-14(19-15)13-7-3-6-12(18-13)11-5-1-2-10-17-11/h1-10H,(H,20,21).
What are the key properties of 6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylic acid?
6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-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 6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 90938789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).