5-methyl-6-propoxypyridine-3-carboxylic acid

C10H13NO3 — CID 138702867

IUPAC5-methyl-6-propoxypyridine-3-carboxylic acid
SMILESCCCOc1ncc(C(=O)O)cc1C
InChIInChI=1S/C10H13NO3/c1-3-4-14-9-7(2)5-8(6-11-9)10(12)13/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyOZGAYEVSJUUBAA-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.88
Rot. Bonds4

About 5-methyl-6-propoxypyridine-3-carboxylic acid

5-methyl-6-propoxypyridine-3-carboxylic acid (PubChem CID 138702867) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-methyl-6-propoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-6-propoxypyridine-3-carboxylic acid
PubChem CID138702867
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name5-methyl-6-propoxypyridine-3-carboxylic acid
SMILESCCCOc1ncc(C(=O)O)cc1C
InChIInChI=1S/C10H13NO3/c1-3-4-14-9-7(2)5-8(6-11-9)10(12)13/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyOZGAYEVSJUUBAA-UHFFFAOYSA-N
XLogP1.88
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-(2-propoxyethoxy)pyridine-3-carboxylic acid
CID 63686910
5-methyl-6-phenoxypyridine-3-carboxylic acid
CID 15687066
2,2,2-trichloro-N-(5-methyl-6-propoxy-3-pyridinyl)acetamide
CID 100773444
6-(3-ethoxyphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80631046
6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80632032
6-(4-butan-2-ylphenoxy)-5-methylpyridine-3-carboxylic acid
CID 107665754
5-amino-6-ethoxypyridine-3-carboxylic acid
CID 81439997
5-bromo-6-ethoxypyridine-3-carboxylic acid
CID 66835474
6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80631293
5,6-dimethoxypyridine-3-carboxylic acid
CID 12563086
5-ethoxycarbonyl-3-propoxypyridine-2-carboxylic acid
CID 22923831
2-ethoxy-6-propoxypyridine-4-carboxylic acid
CID 130427459

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-propoxypyridine-3-carboxylic acid?
The IUPAC name of 5-methyl-6-propoxypyridine-3-carboxylic acid (CID 138702867) is 5-methyl-6-propoxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-6-propoxypyridine-3-carboxylic acid?
The canonical SMILES for 5-methyl-6-propoxypyridine-3-carboxylic acid is CCCOc1ncc(C(=O)O)cc1C.
What is the InChIKey of 5-methyl-6-propoxypyridine-3-carboxylic acid?
The InChIKey is OZGAYEVSJUUBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-4-14-9-7(2)5-8(6-11-9)10(12)13/h5-6H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 5-methyl-6-propoxypyridine-3-carboxylic acid?
5-methyl-6-propoxypyridine-3-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-propoxypyridine-3-carboxylic acid is sourced from PubChem (CID 138702867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).