3-(2-methoxyethoxy)propyl 2-fluoropyridine-4-carboxylate

C12H16FNO4 — CID 103407266

IUPAC3-(2-methoxyethoxy)propyl 2-fluoropyridine-4-carboxylate
SMILESCOCCOCCCOC(=O)c1ccnc(F)c1
InChIInChI=1S/C12H16FNO4/c1-16-7-8-17-5-2-6-18-12(15)10-3-4-14-11(13)9-10/h3-4,9H,2,5-8H2,1H3
InChIKeyOUYYMXSEVIGNAH-UHFFFAOYSA-N
MW257.26 g/mol
LogP1.43
Rot. Bonds8

About 3-(2-methoxyethoxy)propyl 2-fluoropyridine-4-carboxylate

3-(2-methoxyethoxy)propyl 2-fluoropyridine-4-carboxylate (PubChem CID 103407266) has the molecular formula C12H16FNO4 and a molecular weight of 257.26 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)propyl 2-fluoropyridine-4-carboxylate.

Molecular Properties

Compound Name3-(2-methoxyethoxy)propyl 2-fluoropyridine-4-carboxylate
PubChem CID103407266
Molecular FormulaC12H16FNO4
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name3-(2-methoxyethoxy)propyl 2-fluoropyridine-4-carboxylate
SMILESCOCCOCCCOC(=O)c1ccnc(F)c1
InChIInChI=1S/C12H16FNO4/c1-16-7-8-17-5-2-6-18-12(15)10-3-4-14-11(13)9-10/h3-4,9H,2,5-8H2,1H3
InChIKeyOUYYMXSEVIGNAH-UHFFFAOYSA-N
XLogP1.43
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2-methoxyethoxy)propyl 2-fluoropyridine-4-carboxylate 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

3-(2-methoxyethoxy)propyl 3-amino-4-fluorobenzoate
CID 103403556
2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate
CID 122383458
5-(2-butoxyethoxy)pentyl 2-[4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxycarbonyl]-2-pyridinyl]pyridine-4-carboxylate
CID 159072867
3-(2-methoxyethoxy)propyl 4-amino-3-bromobenzoate
CID 103403309
cyanomethyl 2-fluoropyridine-4-carboxylate
CID 130616489
N-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide
CID 61292678
2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 61293810
3-(2-methoxyethoxy)propyl 2-chloro-5-fluoropyridine-3-carboxylate
CID 114035411
(3-methylcyclohexyl)methyl 2-fluoropyridine-4-carboxylate
CID 113347537
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-amino-4-fluorobenzoate
CID 104563056
2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 114326285
2-(3-methoxypropoxy)ethyl 2,6-dichloropyridine-4-carboxylate
CID 103181345

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)propyl 2-fluoropyridine-4-carboxylate?
The IUPAC name of 3-(2-methoxyethoxy)propyl 2-fluoropyridine-4-carboxylate (CID 103407266) is 3-(2-methoxyethoxy)propyl 2-fluoropyridine-4-carboxylate.
What is the SMILES notation for 3-(2-methoxyethoxy)propyl 2-fluoropyridine-4-carboxylate?
The canonical SMILES for 3-(2-methoxyethoxy)propyl 2-fluoropyridine-4-carboxylate is COCCOCCCOC(=O)c1ccnc(F)c1.
What is the InChIKey of 3-(2-methoxyethoxy)propyl 2-fluoropyridine-4-carboxylate?
The InChIKey is OUYYMXSEVIGNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4/c1-16-7-8-17-5-2-6-18-12(15)10-3-4-14-11(13)9-10/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 3-(2-methoxyethoxy)propyl 2-fluoropyridine-4-carboxylate?
3-(2-methoxyethoxy)propyl 2-fluoropyridine-4-carboxylate has a molecular weight of 257.26 g/mol, XLogP of 1.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)propyl 2-fluoropyridine-4-carboxylate is sourced from PubChem (CID 103407266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).