4-methyl-2-pyridin-3-ylbenzene-1,3-dicarboxylic acid

C14H11NO4 — CID 151934643

IUPAC4-methyl-2-pyridin-3-ylbenzene-1,3-dicarboxylic acid
SMILESCc1ccc(C(=O)O)c(-c2cccnc2)c1C(=O)O
InChIInChI=1S/C14H11NO4/c1-8-4-5-10(13(16)17)12(11(8)14(18)19)9-3-2-6-15-7-9/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeySZNIZBOOQGNFQH-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.45
Rot. Bonds3

About 4-methyl-2-pyridin-3-ylbenzene-1,3-dicarboxylic acid

4-methyl-2-pyridin-3-ylbenzene-1,3-dicarboxylic acid (PubChem CID 151934643) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-methyl-2-pyridin-3-ylbenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-methyl-2-pyridin-3-ylbenzene-1,3-dicarboxylic acid
PubChem CID151934643
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name4-methyl-2-pyridin-3-ylbenzene-1,3-dicarboxylic acid
SMILESCc1ccc(C(=O)O)c(-c2cccnc2)c1C(=O)O
InChIInChI=1S/C14H11NO4/c1-8-4-5-10(13(16)17)12(11(8)14(18)19)9-3-2-6-15-7-9/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeySZNIZBOOQGNFQH-UHFFFAOYSA-N
XLogP2.45
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-pyridin-3-ylbenzoic acid
CID 46317094
2-methyl-5-pyridin-3-ylfuran-3-carboxylic acid
CID 83597575
2-fluoro-4-methyl-3-pyridin-3-ylbenzamide
CID 155144897
5-methyl-6-pyridin-3-ylpyridine-2-carboxylic acid
CID 140658207
5-methyl-2-pyridin-3-ylpyridine-3-carboxylic acid
CID 83917075
1-(2-methyl-4-pyridin-3-ylphenyl)ethanone
CID 20716212
2-pyridin-2-yl-3-pyridin-3-ylbenzoic acid
CID 68921390
6-bromo-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 60984137
2-fluoro-6-pyridin-3-ylbenzoic acid
CID 46315544
2-chloro-3-pyridin-3-ylbenzoic acid
CID 46317024
3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097
1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carboxylic acid
CID 43324353

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-3-ylbenzene-1,3-dicarboxylic acid?
The IUPAC name of 4-methyl-2-pyridin-3-ylbenzene-1,3-dicarboxylic acid (CID 151934643) is 4-methyl-2-pyridin-3-ylbenzene-1,3-dicarboxylic acid.
What is the SMILES notation for 4-methyl-2-pyridin-3-ylbenzene-1,3-dicarboxylic acid?
The canonical SMILES for 4-methyl-2-pyridin-3-ylbenzene-1,3-dicarboxylic acid is Cc1ccc(C(=O)O)c(-c2cccnc2)c1C(=O)O.
What is the InChIKey of 4-methyl-2-pyridin-3-ylbenzene-1,3-dicarboxylic acid?
The InChIKey is SZNIZBOOQGNFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-8-4-5-10(13(16)17)12(11(8)14(18)19)9-3-2-6-15-7-9/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-methyl-2-pyridin-3-ylbenzene-1,3-dicarboxylic acid?
4-methyl-2-pyridin-3-ylbenzene-1,3-dicarboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-3-ylbenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 151934643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).