6-(heptoxymethyl)pyridine-2-carboxylic acid

C14H21NO3 — CID 106903282

IUPAC6-(heptoxymethyl)pyridine-2-carboxylic acid
SMILESCCCCCCCOCc1cccc(C(=O)O)n1
InChIInChI=1S/C14H21NO3/c1-2-3-4-5-6-10-18-11-12-8-7-9-13(15-12)14(16)17/h7-9H,2-6,10-11H2,1H3,(H,16,17)
InChIKeyGGJABVGAUMSABA-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.27
Rot. Bonds9

About 6-(heptoxymethyl)pyridine-2-carboxylic acid

6-(heptoxymethyl)pyridine-2-carboxylic acid (PubChem CID 106903282) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-(heptoxymethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(heptoxymethyl)pyridine-2-carboxylic acid
PubChem CID106903282
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name6-(heptoxymethyl)pyridine-2-carboxylic acid
SMILESCCCCCCCOCc1cccc(C(=O)O)n1
InChIInChI=1S/C14H21NO3/c1-2-3-4-5-6-10-18-11-12-8-7-9-13(15-12)14(16)17/h7-9H,2-6,10-11H2,1H3,(H,16,17)
InChIKeyGGJABVGAUMSABA-UHFFFAOYSA-N
XLogP3.27
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(heptoxymethyl)pyridine-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

Related Compounds

6-[(2-propoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 106903239
6-(phenoxymethyl)pyridine-2-carboxylic acid
CID 54566453
6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
CID 106903358
6-(2,2,2-trifluoroethoxymethyl)pyridine-2-carboxylic acid
CID 106903249
N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907788
6-[(4-chlorophenyl)methoxymethyl]pyridine-2-carboxylic acid
CID 106903375
6-(pentoxymethyl)-N-propylpyridin-2-amine
CID 79238780
6-O-decyl 2-O-nonyl pyridine-2,6-dicarboxylate
CID 91725154
2-(dodecoxymethyl)quinoline
CID 14754989
6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903241
6-(trifluoromethoxymethyl)pyridine-2-carboxylic acid
CID 107876690
2-O-butyl 6-O-dodecyl pyridine-2,6-dicarboxylate
CID 91735947

Frequently Asked Questions

What is the IUPAC name of 6-(heptoxymethyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(heptoxymethyl)pyridine-2-carboxylic acid (CID 106903282) is 6-(heptoxymethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(heptoxymethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(heptoxymethyl)pyridine-2-carboxylic acid is CCCCCCCOCc1cccc(C(=O)O)n1.
What is the InChIKey of 6-(heptoxymethyl)pyridine-2-carboxylic acid?
The InChIKey is GGJABVGAUMSABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-3-4-5-6-10-18-11-12-8-7-9-13(15-12)14(16)17/h7-9H,2-6,10-11H2,1H3,(H,16,17).
What are the key properties of 6-(heptoxymethyl)pyridine-2-carboxylic acid?
6-(heptoxymethyl)pyridine-2-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(heptoxymethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 106903282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).