2,3-dimethylbenzoic acid;2,4-dimethylpyridine

C16H19NO2 — CID 171635910

IUPAC2,3-dimethylbenzoic acid;2,4-dimethylpyridine
SMILESCc1cccc(C(=O)O)c1C.Cc1ccnc(C)c1
InChIInChI=1S/C9H10O2.C7H9N/c1-6-4-3-5-8(7(6)2)9(10)11;1-6-3-4-8-7(2)5-6/h3-5H,1-2H3,(H,10,11);3-5H,1-2H3
InChIKeyXTYFQJBSPTWLRF-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.70
Rot. Bonds1

About 2,3-dimethylbenzoic acid;2,4-dimethylpyridine

2,3-dimethylbenzoic acid;2,4-dimethylpyridine (PubChem CID 171635910) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2,3-dimethylbenzoic acid;2,4-dimethylpyridine.

Molecular Properties

Compound Name2,3-dimethylbenzoic acid;2,4-dimethylpyridine
PubChem CID171635910
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2,3-dimethylbenzoic acid;2,4-dimethylpyridine
SMILESCc1cccc(C(=O)O)c1C.Cc1ccnc(C)c1
InChIInChI=1S/C9H10O2.C7H9N/c1-6-4-3-5-8(7(6)2)9(10)11;1-6-3-4-8-7(2)5-6/h3-5H,1-2H3,(H,10,11);3-5H,1-2H3
InChIKeyXTYFQJBSPTWLRF-UHFFFAOYSA-N
XLogP3.70
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[(4-methyl-2-pyridinyl)oxy]benzoic acid
CID 82830521
2,5-dimethylbenzenesulfonic acid;2,3-dimethylbenzoic acid
CID 159685426
carbonic acid;2-methylbenzene-1,3-dicarboxylic acid
CID 174390462
3-carbonochloridoyl-2-methylbenzoic acid
CID 89389383
3-[2-(3-carboxy-2-methylphenyl)-4-methylphenyl]-2-methylbenzoic acid
CID 157377441
4-methylquinoline-8-carboxylic acid
CID 12597844
3-methyl-2-(1,3-oxazol-2-yl)benzoic acid
CID 90411827
3-(3-carboxy-2-methylphenyl)-2-methylbenzoic acid
CID 22140374
4-(2,3-dimethylbenzoyl)benzoic acid
CID 175457920
benzoic acid;2-fluoro-4-methylpyridine
CID 174435105
2-methylbenzene-1,3-dicarboxylic acid;propan-2-ol
CID 175270418
hydrogen peroxide;2-hydroxy-3-methylbenzoic acid
CID 161037568

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbenzoic acid;2,4-dimethylpyridine?
The IUPAC name of 2,3-dimethylbenzoic acid;2,4-dimethylpyridine (CID 171635910) is 2,3-dimethylbenzoic acid;2,4-dimethylpyridine.
What is the SMILES notation for 2,3-dimethylbenzoic acid;2,4-dimethylpyridine?
The canonical SMILES for 2,3-dimethylbenzoic acid;2,4-dimethylpyridine is Cc1cccc(C(=O)O)c1C.Cc1ccnc(C)c1.
What is the InChIKey of 2,3-dimethylbenzoic acid;2,4-dimethylpyridine?
The InChIKey is XTYFQJBSPTWLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C7H9N/c1-6-4-3-5-8(7(6)2)9(10)11;1-6-3-4-8-7(2)5-6/h3-5H,1-2H3,(H,10,11);3-5H,1-2H3.
What are the key properties of 2,3-dimethylbenzoic acid;2,4-dimethylpyridine?
2,3-dimethylbenzoic acid;2,4-dimethylpyridine has a molecular weight of 257.33 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbenzoic acid;2,4-dimethylpyridine is sourced from PubChem (CID 171635910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).