6-[3-(dimethylamino)phenoxy]-5-methylpyridine-3-carboxylic acid

C15H16N2O3 — CID 80632781

IUPAC6-[3-(dimethylamino)phenoxy]-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1Oc1cccc(N(C)C)c1
InChIInChI=1S/C15H16N2O3/c1-10-7-11(15(18)19)9-16-14(10)20-13-6-4-5-12(8-13)17(2)3/h4-9H,1-3H3,(H,18,19)
InChIKeyHNUDJDLITUAAGJ-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.95
Rot. Bonds4

About 6-[3-(dimethylamino)phenoxy]-5-methylpyridine-3-carboxylic acid

6-[3-(dimethylamino)phenoxy]-5-methylpyridine-3-carboxylic acid (PubChem CID 80632781) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 6-[3-(dimethylamino)phenoxy]-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-(dimethylamino)phenoxy]-5-methylpyridine-3-carboxylic acid
PubChem CID80632781
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name6-[3-(dimethylamino)phenoxy]-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1Oc1cccc(N(C)C)c1
InChIInChI=1S/C15H16N2O3/c1-10-7-11(15(18)19)9-16-14(10)20-13-6-4-5-12(8-13)17(2)3/h4-9H,1-3H3,(H,18,19)
InChIKeyHNUDJDLITUAAGJ-UHFFFAOYSA-N
XLogP2.95
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carboxylic acid
CID 81439249
5-methyl-6-phenoxypyridine-3-carboxylic acid
CID 15687066
6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80631293
6-(3-ethoxyphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80631046
[6-[3-(dimethylamino)phenoxy]-5-methyl-3-pyridinyl]methanol
CID 80628307
(5-methyl-6-phenoxy-3-pyridinyl)-phenylmethanone
CID 102544607
6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80632032
4-[2-[3-(dimethylamino)phenoxy]ethoxy]benzoic acid
CID 20985248
5-amino-6-[3-(dimethylamino)phenoxy]pyridine-2-carboxylic acid
CID 114408858
6-(4-butan-2-ylphenoxy)-5-methylpyridine-3-carboxylic acid
CID 107665754
3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80920463
5-methyl-6-(2-methyl-3-nitrophenoxy)pyridine-3-carboxylic acid
CID 80632599

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)phenoxy]-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[3-(dimethylamino)phenoxy]-5-methylpyridine-3-carboxylic acid (CID 80632781) is 6-[3-(dimethylamino)phenoxy]-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-(dimethylamino)phenoxy]-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-(dimethylamino)phenoxy]-5-methylpyridine-3-carboxylic acid is Cc1cc(C(=O)O)cnc1Oc1cccc(N(C)C)c1.
What is the InChIKey of 6-[3-(dimethylamino)phenoxy]-5-methylpyridine-3-carboxylic acid?
The InChIKey is HNUDJDLITUAAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-7-11(15(18)19)9-16-14(10)20-13-6-4-5-12(8-13)17(2)3/h4-9H,1-3H3,(H,18,19).
What are the key properties of 6-[3-(dimethylamino)phenoxy]-5-methylpyridine-3-carboxylic acid?
6-[3-(dimethylamino)phenoxy]-5-methylpyridine-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)phenoxy]-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 80632781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).