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

C16H17NO3 — CID 132588947

IUPAC2-(4-methylphenyl)-5-propoxypyridine-4-carboxylic acid
SMILESCCCOc1cnc(-c2ccc(C)cc2)cc1C(=O)O
InChIInChI=1S/C16H17NO3/c1-3-8-20-15-10-17-14(9-13(15)16(18)19)12-6-4-11(2)5-7-12/h4-7,9-10H,3,8H2,1-2H3,(H,18,19)
InChIKeyMCAWQZOEWPZKBF-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.54
Rot. Bonds5

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

2-(4-methylphenyl)-5-propoxypyridine-4-carboxylic acid (PubChem CID 132588947) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-propoxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-propoxypyridine-4-carboxylic acid
PubChem CID132588947
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-(4-methylphenyl)-5-propoxypyridine-4-carboxylic acid
SMILESCCCOc1cnc(-c2ccc(C)cc2)cc1C(=O)O
InChIInChI=1S/C16H17NO3/c1-3-8-20-15-10-17-14(9-13(15)16(18)19)12-6-4-11(2)5-7-12/h4-7,9-10H,3,8H2,1-2H3,(H,18,19)
InChIKeyMCAWQZOEWPZKBF-UHFFFAOYSA-N
XLogP3.54
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-5-propoxypyridine-4-carboxylic acid
CID 132588963
2-propan-2-yl-5-propoxypyridine-4-carboxylic acid
CID 132588861
5-methyl-2-(2-propoxyphenoxy)benzoic acid
CID 62514617
5-iodo-2-propoxybenzoic acid
CID 10804556
5-methyl-2-nonoxybenzoic acid
CID 63463067
2-methoxy-5-propoxybenzoic acid
CID 82265622
2-ethoxy-5-(3-fluoro-4-propoxyphenyl)benzoic acid
CID 69110371
2-ethoxy-4-(3-methyl-4-propoxyphenyl)benzoic acid
CID 71083072
5-(3-chloro-4-fluorophenyl)-2-propoxybenzoic acid
CID 69110744
5-methoxy-2-pyridin-3-ylpyridine-4-carboxylic acid
CID 116864813
4,6-di(undecoxy)benzene-1,3-dicarboxylic acid
CID 101148089
5-(3-propan-2-ylphenyl)-2-propoxybenzoic acid
CID 69114760

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-propoxypyridine-4-carboxylic acid?
The IUPAC name of 2-(4-methylphenyl)-5-propoxypyridine-4-carboxylic acid (CID 132588947) is 2-(4-methylphenyl)-5-propoxypyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-methylphenyl)-5-propoxypyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-methylphenyl)-5-propoxypyridine-4-carboxylic acid is CCCOc1cnc(-c2ccc(C)cc2)cc1C(=O)O.
What is the InChIKey of 2-(4-methylphenyl)-5-propoxypyridine-4-carboxylic acid?
The InChIKey is MCAWQZOEWPZKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-3-8-20-15-10-17-14(9-13(15)16(18)19)12-6-4-11(2)5-7-12/h4-7,9-10H,3,8H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-methylphenyl)-5-propoxypyridine-4-carboxylic acid?
2-(4-methylphenyl)-5-propoxypyridine-4-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-propoxypyridine-4-carboxylic acid is sourced from PubChem (CID 132588947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).