4,6-dimethylpyridine-3-carboxylic acid

C8H9NO2 — CID 817290

IUPAC4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)cn1
InChIInChI=1S/C8H9NO2/c1-5-3-6(2)9-4-7(5)8(10)11/h3-4H,1-2H3,(H,10,11)
InChIKeyDNXREYUMWKSTJU-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.40
Rot. Bonds1

About 4,6-dimethylpyridine-3-carboxylic acid

4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 817290) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethylpyridine-3-carboxylic acid
PubChem CID817290
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)cn1
InChIInChI=1S/C8H9NO2/c1-5-3-6(2)9-4-7(5)8(10)11/h3-4H,1-2H3,(H,10,11)
InChIKeyDNXREYUMWKSTJU-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

6-cyano-4-methylpyridine-3-carboxylic acid
CID 130894827
1-(4,6-dimethyl-3-pyridinyl)ethenol
CID 177153550
4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid
CID 91225203
2,4-dimethyl-5-(6-methyl-3-pyridinyl)benzoic acid
CID 107515583
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432
4-ethynyl-6-methylpyridine-3-carboxylic acid
CID 74888677
2-bromo-1-(4,6-dimethyl-3-pyridinyl)propan-1-one
CID 18967827
2-amino-1-(4,6-dimethyl-3-pyridinyl)propan-1-one
CID 83827929
6-methyl-4-phenylpyridine-3-carboxylic acid
CID 82113463
propan-2-yl 4,6-dimethylpyridine-3-carboxylate
CID 121321019
4-ethoxy-6-methylpyridine-3-carboxylic acid
CID 81230098
6-methyl-4-(oxetan-2-yl)pyridine-3-carboxylic acid
CID 175489334

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4,6-dimethylpyridine-3-carboxylic acid (CID 817290) is 4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)cn1.
What is the InChIKey of 4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is DNXREYUMWKSTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-5-3-6(2)9-4-7(5)8(10)11/h3-4H,1-2H3,(H,10,11).
What are the key properties of 4,6-dimethylpyridine-3-carboxylic acid?
4,6-dimethylpyridine-3-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 4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 817290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).