5-(cyclopropylmethoxymethoxy)pyridine-3-carboxylic acid

C11H13NO4 — CID 106929024

IUPAC5-(cyclopropylmethoxymethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCOCC2CC2)c1
InChIInChI=1S/C11H13NO4/c13-11(14)9-3-10(5-12-4-9)16-7-15-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,13,14)
InChIKeyIIPDEWFTQVDOGE-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.54
Rot. Bonds6

About 5-(cyclopropylmethoxymethoxy)pyridine-3-carboxylic acid

5-(cyclopropylmethoxymethoxy)pyridine-3-carboxylic acid (PubChem CID 106929024) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-(cyclopropylmethoxymethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopropylmethoxymethoxy)pyridine-3-carboxylic acid
PubChem CID106929024
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name5-(cyclopropylmethoxymethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCOCC2CC2)c1
InChIInChI=1S/C11H13NO4/c13-11(14)9-3-10(5-12-4-9)16-7-15-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,13,14)
InChIKeyIIPDEWFTQVDOGE-UHFFFAOYSA-N
XLogP1.54
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(cyclopropylmethoxymethoxy)pyridine-3-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

5-Methoxy-3-pyridinecarboxaldehyde
CID 10975549
5-Hydroxynicotinic acid
CID 34037
Methyl 5-hydroxypyridine-3-carboxylate
CID 354317
5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-nicotinic acid methyl ester
CID 44319186
Ethyl 5-hydroxynicotinate
CID 910016
5-Methoxynicotinic acid
CID 4738390
5-(((Benzyloxy)carbonyl)oxy)nicotinic acid
CID 770213
5-[(Methoxycarbonyl)oxy]nicotinic acid
CID 770217
5-(2,2,2-Trifluoroethoxy)pyridine-3-carboxylic acid
CID 63851865
1-(5-Methoxypyridin-3-yl)ethan-1-one
CID 17883611
Methyl 5-methoxy-6-methylpyridine-3-carboxylate
CID 119135682
5-Hydroxynicotinate
CID 54708826

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxymethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-(cyclopropylmethoxymethoxy)pyridine-3-carboxylic acid (CID 106929024) is 5-(cyclopropylmethoxymethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(cyclopropylmethoxymethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(cyclopropylmethoxymethoxy)pyridine-3-carboxylic acid is O=C(O)c1cncc(OCOCC2CC2)c1.
What is the InChIKey of 5-(cyclopropylmethoxymethoxy)pyridine-3-carboxylic acid?
The InChIKey is IIPDEWFTQVDOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-11(14)9-3-10(5-12-4-9)16-7-15-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,13,14).
What are the key properties of 5-(cyclopropylmethoxymethoxy)pyridine-3-carboxylic acid?
5-(cyclopropylmethoxymethoxy)pyridine-3-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxymethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 106929024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).