5-pyridin-3-ylpyridine-2,3-dicarboxylic acid

C12H8N2O4 — CID 150193110

IUPAC5-pyridin-3-ylpyridine-2,3-dicarboxylic acid
SMILESO=C(O)c1cc(-c2cccnc2)cnc1C(=O)O
InChIInChI=1S/C12H8N2O4/c15-11(16)9-4-8(6-14-10(9)12(17)18)7-2-1-3-13-5-7/h1-6H,(H,15,16)(H,17,18)
InChIKeyFNWBQQWIEKCPBR-UHFFFAOYSA-N
MW244.21 g/mol
LogP1.54
Rot. Bonds3

About 5-pyridin-3-ylpyridine-2,3-dicarboxylic acid

5-pyridin-3-ylpyridine-2,3-dicarboxylic acid (PubChem CID 150193110) has the molecular formula C12H8N2O4 and a molecular weight of 244.21 g/mol. Its IUPAC name is 5-pyridin-3-ylpyridine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name5-pyridin-3-ylpyridine-2,3-dicarboxylic acid
PubChem CID150193110
Molecular FormulaC12H8N2O4
Molecular Weight244.21 g/mol
Exact Mass244.05
IUPAC Name5-pyridin-3-ylpyridine-2,3-dicarboxylic acid
SMILESO=C(O)c1cc(-c2cccnc2)cnc1C(=O)O
InChIInChI=1S/C12H8N2O4/c15-11(16)9-4-8(6-14-10(9)12(17)18)7-2-1-3-13-5-7/h1-6H,(H,15,16)(H,17,18)
InChIKeyFNWBQQWIEKCPBR-UHFFFAOYSA-N
XLogP1.54
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Quinolinic Acid
CID 1066
Fusaric Acid
CID 3442
2,5-Pyridinedicarboxylic acid
CID 7493
Isoquinoline-3-carboxylic acid
CID 124656
5-(Methoxycarbonyl)pyridine-2-carboxylic acid
CID 314992
2,3-Quinolinedicarboxylic acid
CID 69508
5-Ethylquinolinic acid
CID 113606
(2,2'-Bipyridine)-5,5'-dicarboxylic acid
CID 192744
2,2'-Bipyridine-3,3'-dicarboxylic Acid
CID 681885
Npc323084
CID 5460301
6-Phenylnicotinic acid
CID 120118
5-Phenylpyridine-3-carboxylic acid
CID 346160

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-ylpyridine-2,3-dicarboxylic acid?
The IUPAC name of 5-pyridin-3-ylpyridine-2,3-dicarboxylic acid (CID 150193110) is 5-pyridin-3-ylpyridine-2,3-dicarboxylic acid.
What is the SMILES notation for 5-pyridin-3-ylpyridine-2,3-dicarboxylic acid?
The canonical SMILES for 5-pyridin-3-ylpyridine-2,3-dicarboxylic acid is O=C(O)c1cc(-c2cccnc2)cnc1C(=O)O.
What is the InChIKey of 5-pyridin-3-ylpyridine-2,3-dicarboxylic acid?
The InChIKey is FNWBQQWIEKCPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4/c15-11(16)9-4-8(6-14-10(9)12(17)18)7-2-1-3-13-5-7/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 5-pyridin-3-ylpyridine-2,3-dicarboxylic acid?
5-pyridin-3-ylpyridine-2,3-dicarboxylic acid has a molecular weight of 244.21 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-ylpyridine-2,3-dicarboxylic acid is sourced from PubChem (CID 150193110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).