2,4-dimethylbenzoic acid;2-methylpyridin-3-ol

C15H17NO3 — CID 67699465

IUPAC2,4-dimethylbenzoic acid;2-methylpyridin-3-ol
SMILESCc1ccc(C(=O)O)c(C)c1.Cc1ncccc1O
InChIInChI=1S/C9H10O2.C6H7NO/c1-6-3-4-8(9(10)11)7(2)5-6;1-5-6(8)3-2-4-7-5/h3-5H,1-2H3,(H,10,11);2-4,8H,1H3
InChIKeyLOEUJBGVOKATRQ-UHFFFAOYSA-N
MW259.30 g/mol
LogP3.10
Rot. Bonds1

About 2,4-dimethylbenzoic acid;2-methylpyridin-3-ol

2,4-dimethylbenzoic acid;2-methylpyridin-3-ol (PubChem CID 67699465) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2,4-dimethylbenzoic acid;2-methylpyridin-3-ol.

Molecular Properties

Compound Name2,4-dimethylbenzoic acid;2-methylpyridin-3-ol
PubChem CID67699465
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name2,4-dimethylbenzoic acid;2-methylpyridin-3-ol
SMILESCc1ccc(C(=O)O)c(C)c1.Cc1ncccc1O
InChIInChI=1S/C9H10O2.C6H7NO/c1-6-3-4-8(9(10)11)7(2)5-6;1-5-6(8)3-2-4-7-5/h3-5H,1-2H3,(H,10,11);2-4,8H,1H3
InChIKeyLOEUJBGVOKATRQ-UHFFFAOYSA-N
XLogP3.10
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 70394156
ethane;2-hydroxy-4-methylbenzoic acid
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4-methyl-2-pyrimidin-2-yloxybenzoic acid
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(2,4-dimethylphenyl)-quinolin-8-ylmethanone
CID 115604843
2-[(2,4-dimethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614620
(2,4-dimethylphenyl)-(2-hydroxy-4-methylphenyl)methanone
CID 22951592
N-(3-chloro-2-pyridinyl)-2,4-dimethylbenzamide
CID 103892998
2-methyl-4-[(3-methylpyrazin-2-yl)amino]benzoic acid
CID 83065152
2-carboxy-5-methylphenolate
CID 54675829
(3-carboxy-2-pyridinyl)astatine
CID 174507208
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CID 67940861

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylbenzoic acid;2-methylpyridin-3-ol?
The IUPAC name of 2,4-dimethylbenzoic acid;2-methylpyridin-3-ol (CID 67699465) is 2,4-dimethylbenzoic acid;2-methylpyridin-3-ol.
What is the SMILES notation for 2,4-dimethylbenzoic acid;2-methylpyridin-3-ol?
The canonical SMILES for 2,4-dimethylbenzoic acid;2-methylpyridin-3-ol is Cc1ccc(C(=O)O)c(C)c1.Cc1ncccc1O.
What is the InChIKey of 2,4-dimethylbenzoic acid;2-methylpyridin-3-ol?
The InChIKey is LOEUJBGVOKATRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C6H7NO/c1-6-3-4-8(9(10)11)7(2)5-6;1-5-6(8)3-2-4-7-5/h3-5H,1-2H3,(H,10,11);2-4,8H,1H3.
What are the key properties of 2,4-dimethylbenzoic acid;2-methylpyridin-3-ol?
2,4-dimethylbenzoic acid;2-methylpyridin-3-ol has a molecular weight of 259.30 g/mol, XLogP of 3.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylbenzoic acid;2-methylpyridin-3-ol is sourced from PubChem (CID 67699465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).