4-methyl-5-(5-propoxy-3-pyridinyl)pyridine-3-carboxylic acid

C15H16N2O3 — CID 167815932

IUPAC4-methyl-5-(5-propoxy-3-pyridinyl)pyridine-3-carboxylic acid
SMILESCCCOc1cncc(-c2cncc(C(=O)O)c2C)c1
InChIInChI=1S/C15H16N2O3/c1-3-4-20-12-5-11(6-16-7-12)13-8-17-9-14(10(13)2)15(18)19/h5-9H,3-4H2,1-2H3,(H,18,19)
InChIKeyHDIAVHVKBUHOFF-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.94
Rot. Bonds5

About 4-methyl-5-(5-propoxy-3-pyridinyl)pyridine-3-carboxylic acid

4-methyl-5-(5-propoxy-3-pyridinyl)pyridine-3-carboxylic acid (PubChem CID 167815932) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-methyl-5-(5-propoxy-3-pyridinyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-5-(5-propoxy-3-pyridinyl)pyridine-3-carboxylic acid
PubChem CID167815932
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-methyl-5-(5-propoxy-3-pyridinyl)pyridine-3-carboxylic acid
SMILESCCCOc1cncc(-c2cncc(C(=O)O)c2C)c1
InChIInChI=1S/C15H16N2O3/c1-3-4-20-12-5-11(6-16-7-12)13-8-17-9-14(10(13)2)15(18)19/h5-9H,3-4H2,1-2H3,(H,18,19)
InChIKeyHDIAVHVKBUHOFF-UHFFFAOYSA-N
XLogP2.94
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-4-(5-propoxy-3-pyridinyl)phenol
CID 107663404
4-methyl-5-pyridin-4-ylpyridine-3-carboxylic acid
CID 140683950
5-butoxypyridine-3-carboxylic acid
CID 63851154
6-(5-propoxy-3-pyridinyl)pyridin-3-ol
CID 83129184
2-[2-oxo-4-(5-propoxy-3-pyridinyl)-1-pyridinyl]acetic acid
CID 167839939
5-hexoxypyridine-3-carboxylic acid
CID 63850317
2-(4-methylphenyl)-5-propoxypyridine-4-carboxylic acid
CID 132588947
2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 103446165
2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone
CID 112574299
2-[5-(2-fluoro-4-propoxyphenyl)-3-pyridinyl]acetic acid
CID 167824351
(5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 114885218
6-methyl-4-(4-propoxyanilino)pyridine-3-carboxylic acid
CID 81244627

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(5-propoxy-3-pyridinyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-5-(5-propoxy-3-pyridinyl)pyridine-3-carboxylic acid (CID 167815932) is 4-methyl-5-(5-propoxy-3-pyridinyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-5-(5-propoxy-3-pyridinyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-5-(5-propoxy-3-pyridinyl)pyridine-3-carboxylic acid is CCCOc1cncc(-c2cncc(C(=O)O)c2C)c1.
What is the InChIKey of 4-methyl-5-(5-propoxy-3-pyridinyl)pyridine-3-carboxylic acid?
The InChIKey is HDIAVHVKBUHOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-4-20-12-5-11(6-16-7-12)13-8-17-9-14(10(13)2)15(18)19/h5-9H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 4-methyl-5-(5-propoxy-3-pyridinyl)pyridine-3-carboxylic acid?
4-methyl-5-(5-propoxy-3-pyridinyl)pyridine-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(5-propoxy-3-pyridinyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 167815932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).