2-(4-methoxyphenyl)-5-propoxypyridine-4-carboxylic acid

C16H17NO4 — CID 132588963

IUPAC2-(4-methoxyphenyl)-5-propoxypyridine-4-carboxylic acid
SMILESCCCOc1cnc(-c2ccc(OC)cc2)cc1C(=O)O
InChIInChI=1S/C16H17NO4/c1-3-8-21-15-10-17-14(9-13(15)16(18)19)11-4-6-12(20-2)7-5-11/h4-7,9-10H,3,8H2,1-2H3,(H,18,19)
InChIKeyDGWBOVVRWMEGKL-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.24
Rot. Bonds6

About 2-(4-methoxyphenyl)-5-propoxypyridine-4-carboxylic acid

2-(4-methoxyphenyl)-5-propoxypyridine-4-carboxylic acid (PubChem CID 132588963) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-propoxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-propoxypyridine-4-carboxylic acid
PubChem CID132588963
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name2-(4-methoxyphenyl)-5-propoxypyridine-4-carboxylic acid
SMILESCCCOc1cnc(-c2ccc(OC)cc2)cc1C(=O)O
InChIInChI=1S/C16H17NO4/c1-3-8-21-15-10-17-14(9-13(15)16(18)19)11-4-6-12(20-2)7-5-11/h4-7,9-10H,3,8H2,1-2H3,(H,18,19)
InChIKeyDGWBOVVRWMEGKL-UHFFFAOYSA-N
XLogP3.24
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-5-propoxypyridine-4-carboxylic acid
CID 132588947
2-methoxy-5-propoxybenzoic acid
CID 82265622
2-butoxy-5-methoxybenzoic acid
CID 43213162
2-propan-2-yl-5-propoxypyridine-4-carboxylic acid
CID 132588861
5-methoxy-2-pyridin-3-ylpyridine-4-carboxylic acid
CID 116864813
5-iodo-2-propoxybenzoic acid
CID 10804556
2-[4-(4-propoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 153380378
8-methoxy-2-(3-propoxyphenyl)quinoline-4-carboxylic acid
CID 7139834
2-amino-5-propoxybenzoic acid
CID 12719187
2-(3-hydroxypropoxy)-5-methoxybenzoic acid
CID 60693366
2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid
CID 53222794
2-(4-propoxyphenyl)benzoic acid
CID 62802761

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-propoxypyridine-4-carboxylic acid?
The IUPAC name of 2-(4-methoxyphenyl)-5-propoxypyridine-4-carboxylic acid (CID 132588963) is 2-(4-methoxyphenyl)-5-propoxypyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-propoxypyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-5-propoxypyridine-4-carboxylic acid is CCCOc1cnc(-c2ccc(OC)cc2)cc1C(=O)O.
What is the InChIKey of 2-(4-methoxyphenyl)-5-propoxypyridine-4-carboxylic acid?
The InChIKey is DGWBOVVRWMEGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-3-8-21-15-10-17-14(9-13(15)16(18)19)11-4-6-12(20-2)7-5-11/h4-7,9-10H,3,8H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-methoxyphenyl)-5-propoxypyridine-4-carboxylic acid?
2-(4-methoxyphenyl)-5-propoxypyridine-4-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-propoxypyridine-4-carboxylic acid is sourced from PubChem (CID 132588963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).