3,5-dimethylpyridine-2-carboxylic acid

C8H9NO2 — CID 15426890

IUPAC3,5-dimethylpyridine-2-carboxylic acid
SMILESCc1cnc(C(=O)O)c(C)c1
InChIInChI=1S/C8H9NO2/c1-5-3-6(2)7(8(10)11)9-4-5/h3-4H,1-2H3,(H,10,11)
InChIKeyCRQQOEOERUUJFO-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.40
Rot. Bonds1

About 3,5-dimethylpyridine-2-carboxylic acid

3,5-dimethylpyridine-2-carboxylic acid (PubChem CID 15426890) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 3,5-dimethylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3,5-dimethylpyridine-2-carboxylic acid
PubChem CID15426890
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name3,5-dimethylpyridine-2-carboxylic acid
SMILESCc1cnc(C(=O)O)c(C)c1
InChIInChI=1S/C8H9NO2/c1-5-3-6(2)7(8(10)11)9-4-5/h3-4H,1-2H3,(H,10,11)
InChIKeyCRQQOEOERUUJFO-UHFFFAOYSA-N
XLogP1.40
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-hydroxyprop-1-ynyl)-3-methylpyridine-2-carboxylic acid
CID 169485326
N'-amino-3,5-dimethylpyridine-2-carboximidamide
CID 126973150
(3,5-dimethyl-2-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106680077
3,5-dimethylpyridine-2-carboximidamide
CID 112703746
3,5-dimethyl-2-[(3Z)-penta-1,3-dien-3-yl]pyridine
CID 130349544
4,5-dimethylpyridine-2,3-dicarboxylic acid
CID 53487983
3-methyl-5-(oxan-4-yl)pyridine-2-carboxylic acid
CID 171365286
5-(3-amino-1,2-dihydroxypropyl)-3-methylpyridine-2-carboxylic acid
CID 170828477
3-(2,4,6-trimethylphenyl)pyrazine-2-carboxylic acid
CID 82477716
5-(1,1-dioxothian-4-yl)-3-methylpyridine-2-carboxylic acid
CID 169081411
2-(3,4-dichlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone
CID 113365492
(4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone
CID 114642305

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylpyridine-2-carboxylic acid?
The IUPAC name of 3,5-dimethylpyridine-2-carboxylic acid (CID 15426890) is 3,5-dimethylpyridine-2-carboxylic acid.
What is the SMILES notation for 3,5-dimethylpyridine-2-carboxylic acid?
The canonical SMILES for 3,5-dimethylpyridine-2-carboxylic acid is Cc1cnc(C(=O)O)c(C)c1.
What is the InChIKey of 3,5-dimethylpyridine-2-carboxylic acid?
The InChIKey is CRQQOEOERUUJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-5-3-6(2)7(8(10)11)9-4-5/h3-4H,1-2H3,(H,10,11).
What are the key properties of 3,5-dimethylpyridine-2-carboxylic acid?
3,5-dimethylpyridine-2-carboxylic acid has a molecular weight of 151.16 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylpyridine-2-carboxylic acid is sourced from PubChem (CID 15426890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).