2-(6-methyl-3-pyridin-3-yl-2-pyridinyl)acetic acid

C13H12N2O2 — CID 46316907

IUPAC2-(6-methyl-3-pyridin-3-yl-2-pyridinyl)acetic acid
SMILESCc1ccc(-c2cccnc2)c(CC(=O)O)n1
InChIInChI=1S/C13H12N2O2/c1-9-4-5-11(10-3-2-6-14-8-10)12(15-9)7-13(16)17/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyDEZDJJPCEOVNJL-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.08
Rot. Bonds3

About 2-(6-methyl-3-pyridin-3-yl-2-pyridinyl)acetic acid

2-(6-methyl-3-pyridin-3-yl-2-pyridinyl)acetic acid (PubChem CID 46316907) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridin-3-yl-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(6-methyl-3-pyridin-3-yl-2-pyridinyl)acetic acid
PubChem CID46316907
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-(6-methyl-3-pyridin-3-yl-2-pyridinyl)acetic acid
SMILESCc1ccc(-c2cccnc2)c(CC(=O)O)n1
InChIInChI=1S/C13H12N2O2/c1-9-4-5-11(10-3-2-6-14-8-10)12(15-9)7-13(16)17/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyDEZDJJPCEOVNJL-UHFFFAOYSA-N
XLogP2.08
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2,3-dipyridin-3-ylpyridine
CID 46316604
2-(6-pyridin-3-yl-2-pyridinyl)acetic acid
CID 46316923
2-(3-fluoro-2-pyridin-3-ylphenyl)acetic acid
CID 46315774
2-(3-methoxy-5-pyridin-3-yl-4-pyridinyl)acetic acid
CID 131870032
6-methyl-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 62746595
2-methyl-6-pyridin-3-ylpyridine;propane
CID 144615785
ethane;2-methyl-6-pyridin-3-ylpyridine
CID 144687863
2-(6-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid
CID 3290134
2-(5-fluoro-6-pyridin-3-yl-2-pyridinyl)acetic acid
CID 131870101
2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82069424
2-(2-fluoro-5-pyridin-3-ylphenyl)acetic acid
CID 46315790
2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetic acid
CID 82282715

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridin-3-yl-2-pyridinyl)acetic acid?
The IUPAC name of 2-(6-methyl-3-pyridin-3-yl-2-pyridinyl)acetic acid (CID 46316907) is 2-(6-methyl-3-pyridin-3-yl-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(6-methyl-3-pyridin-3-yl-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(6-methyl-3-pyridin-3-yl-2-pyridinyl)acetic acid is Cc1ccc(-c2cccnc2)c(CC(=O)O)n1.
What is the InChIKey of 2-(6-methyl-3-pyridin-3-yl-2-pyridinyl)acetic acid?
The InChIKey is DEZDJJPCEOVNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9-4-5-11(10-3-2-6-14-8-10)12(15-9)7-13(16)17/h2-6,8H,7H2,1H3,(H,16,17).
What are the key properties of 2-(6-methyl-3-pyridin-3-yl-2-pyridinyl)acetic acid?
2-(6-methyl-3-pyridin-3-yl-2-pyridinyl)acetic acid has a molecular weight of 228.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridin-3-yl-2-pyridinyl)acetic acid is sourced from PubChem (CID 46316907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).