5-phenylmethoxy-6-propylpyridine-2-carboxylic acid

C16H17NO3 — CID 66905163

IUPAC5-phenylmethoxy-6-propylpyridine-2-carboxylic acid
SMILESCCCc1nc(C(=O)O)ccc1OCc1ccccc1
InChIInChI=1S/C16H17NO3/c1-2-6-13-15(10-9-14(17-13)16(18)19)20-11-12-7-4-3-5-8-12/h3-5,7-10H,2,6,11H2,1H3,(H,18,19)
InChIKeyLABBXAICESSXRT-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.31
Rot. Bonds6

About 5-phenylmethoxy-6-propylpyridine-2-carboxylic acid

5-phenylmethoxy-6-propylpyridine-2-carboxylic acid (PubChem CID 66905163) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-phenylmethoxy-6-propylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-phenylmethoxy-6-propylpyridine-2-carboxylic acid
PubChem CID66905163
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name5-phenylmethoxy-6-propylpyridine-2-carboxylic acid
SMILESCCCc1nc(C(=O)O)ccc1OCc1ccccc1
InChIInChI=1S/C16H17NO3/c1-2-6-13-15(10-9-14(17-13)16(18)19)20-11-12-7-4-3-5-8-12/h3-5,7-10H,2,6,11H2,1H3,(H,18,19)
InChIKeyLABBXAICESSXRT-UHFFFAOYSA-N
XLogP3.31
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-phenylmethoxy-6-propylpyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-6-propylpyridine-2-carboxylic acid?
The IUPAC name of 5-phenylmethoxy-6-propylpyridine-2-carboxylic acid (CID 66905163) is 5-phenylmethoxy-6-propylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-phenylmethoxy-6-propylpyridine-2-carboxylic acid?
The canonical SMILES for 5-phenylmethoxy-6-propylpyridine-2-carboxylic acid is CCCc1nc(C(=O)O)ccc1OCc1ccccc1.
What is the InChIKey of 5-phenylmethoxy-6-propylpyridine-2-carboxylic acid?
The InChIKey is LABBXAICESSXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-6-13-15(10-9-14(17-13)16(18)19)20-11-12-7-4-3-5-8-12/h3-5,7-10H,2,6,11H2,1H3,(H,18,19).
What are the key properties of 5-phenylmethoxy-6-propylpyridine-2-carboxylic acid?
5-phenylmethoxy-6-propylpyridine-2-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-6-propylpyridine-2-carboxylic acid is sourced from PubChem (CID 66905163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).