2-(diethoxymethyl)-6-phenylpyridine-3-carboxylic acid

C17H19NO4 — CID 112757140

IUPAC2-(diethoxymethyl)-6-phenylpyridine-3-carboxylic acid
SMILESCCOC(OCC)c1nc(-c2ccccc2)ccc1C(=O)O
InChIInChI=1S/C17H19NO4/c1-3-21-17(22-4-2)15-13(16(19)20)10-11-14(18-15)12-8-6-5-7-9-12/h5-11,17H,3-4H2,1-2H3,(H,19,20)
InChIKeyYTXPDMOPUNPNBG-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.52
Rot. Bonds7

About 2-(diethoxymethyl)-6-phenylpyridine-3-carboxylic acid

2-(diethoxymethyl)-6-phenylpyridine-3-carboxylic acid (PubChem CID 112757140) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-(diethoxymethyl)-6-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(diethoxymethyl)-6-phenylpyridine-3-carboxylic acid
PubChem CID112757140
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-(diethoxymethyl)-6-phenylpyridine-3-carboxylic acid
SMILESCCOC(OCC)c1nc(-c2ccccc2)ccc1C(=O)O
InChIInChI=1S/C17H19NO4/c1-3-21-17(22-4-2)15-13(16(19)20)10-11-14(18-15)12-8-6-5-7-9-12/h5-11,17H,3-4H2,1-2H3,(H,19,20)
InChIKeyYTXPDMOPUNPNBG-UHFFFAOYSA-N
XLogP3.52
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-6-phenylpyridine-3-carboxylic acid
CID 91810897
6-phenyl-2-propylpyridine-3-carboxylic acid
CID 112693851
ethyl 2-amino-6-phenylpyridine-3-carboxylate
CID 1236695
2-ethyl-6-(4-ethylphenyl)pyridine-3-carboxylic acid
CID 116532989
2-(2-chlorophenoxy)-6-phenylpyridine-3-carboxylic acid
CID 59585000
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 55463613
3-methyl-6-phenylpyridine-2-carboxylic acid
CID 71435914
8-chloro-2-phenylquinoline-5-carboxylic acid
CID 624950
(1-ethoxycarbonylpiperidin-4-yl) 2-methyl-6-phenylpyridine-3-carboxylate
CID 71896452
6-(4-methoxyphenyl)pyridine-2,3-dicarboxylic acid
CID 16637669
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 35514867
ethyl N-(6-phenylpyridazin-3-yl)carbamate
CID 59867445

Frequently Asked Questions

What is the IUPAC name of 2-(diethoxymethyl)-6-phenylpyridine-3-carboxylic acid?
The IUPAC name of 2-(diethoxymethyl)-6-phenylpyridine-3-carboxylic acid (CID 112757140) is 2-(diethoxymethyl)-6-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(diethoxymethyl)-6-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(diethoxymethyl)-6-phenylpyridine-3-carboxylic acid is CCOC(OCC)c1nc(-c2ccccc2)ccc1C(=O)O.
What is the InChIKey of 2-(diethoxymethyl)-6-phenylpyridine-3-carboxylic acid?
The InChIKey is YTXPDMOPUNPNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-3-21-17(22-4-2)15-13(16(19)20)10-11-14(18-15)12-8-6-5-7-9-12/h5-11,17H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 2-(diethoxymethyl)-6-phenylpyridine-3-carboxylic acid?
2-(diethoxymethyl)-6-phenylpyridine-3-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxymethyl)-6-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 112757140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).