3-(2-methoxyethoxy)propyl 2-chloro-5-fluoropyridine-3-carboxylate

C12H15ClFNO4 — CID 114035411

IUPAC3-(2-methoxyethoxy)propyl 2-chloro-5-fluoropyridine-3-carboxylate
SMILESCOCCOCCCOC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C12H15ClFNO4/c1-17-5-6-18-3-2-4-19-12(16)10-7-9(14)8-15-11(10)13/h7-8H,2-6H2,1H3
InChIKeyWNPSXTGCWLVHJH-UHFFFAOYSA-N
MW291.71 g/mol
LogP2.08
Rot. Bonds8

About 3-(2-methoxyethoxy)propyl 2-chloro-5-fluoropyridine-3-carboxylate

3-(2-methoxyethoxy)propyl 2-chloro-5-fluoropyridine-3-carboxylate (PubChem CID 114035411) has the molecular formula C12H15ClFNO4 and a molecular weight of 291.71 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)propyl 2-chloro-5-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Name3-(2-methoxyethoxy)propyl 2-chloro-5-fluoropyridine-3-carboxylate
PubChem CID114035411
Molecular FormulaC12H15ClFNO4
Molecular Weight291.71 g/mol
Exact Mass291.07
IUPAC Name3-(2-methoxyethoxy)propyl 2-chloro-5-fluoropyridine-3-carboxylate
SMILESCOCCOCCCOC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C12H15ClFNO4/c1-17-5-6-18-3-2-4-19-12(16)10-7-9(14)8-15-11(10)13/h7-8H,2-6H2,1H3
InChIKeyWNPSXTGCWLVHJH-UHFFFAOYSA-N
XLogP2.08
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 52.08
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-chloro-5-fluoropyridine-3-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

2-(2-methoxyethoxy)ethyl 2-chloro-5-fluoropyridine-3-carboxylate
CID 103885347
2-butoxyethyl 2-chloro-5-fluoropyridine-3-carboxylate
CID 114035402
propyl 2-chloro-5-fluoropyridine-3-carboxylate
CID 103881060
3-(2-methoxyethoxy)propyl 2,6-dichloropyridine-3-carboxylate
CID 106994631
2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide
CID 103892342
3-(2-methoxyethoxy)propyl 2-fluoropyridine-4-carboxylate
CID 103407266
2-(2-methoxyethoxy)ethyl 5-chloro-2-fluorobenzoate
CID 112689579
3-(2-methoxyethoxy)propyl 2-fluoro-3-methylbenzoate
CID 103407273
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 103891263
2-(3-methoxypropoxy)ethyl 2,6-dichloropyridine-4-carboxylate
CID 103181345
3-(2-methoxyethoxy)propyl 2-amino-3,5-dimethylbenzoate
CID 103403066

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)propyl 2-chloro-5-fluoropyridine-3-carboxylate?
The IUPAC name of 3-(2-methoxyethoxy)propyl 2-chloro-5-fluoropyridine-3-carboxylate (CID 114035411) is 3-(2-methoxyethoxy)propyl 2-chloro-5-fluoropyridine-3-carboxylate.
What is the SMILES notation for 3-(2-methoxyethoxy)propyl 2-chloro-5-fluoropyridine-3-carboxylate?
The canonical SMILES for 3-(2-methoxyethoxy)propyl 2-chloro-5-fluoropyridine-3-carboxylate is COCCOCCCOC(=O)c1cc(F)cnc1Cl.
What is the InChIKey of 3-(2-methoxyethoxy)propyl 2-chloro-5-fluoropyridine-3-carboxylate?
The InChIKey is WNPSXTGCWLVHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO4/c1-17-5-6-18-3-2-4-19-12(16)10-7-9(14)8-15-11(10)13/h7-8H,2-6H2,1H3.
What are the key properties of 3-(2-methoxyethoxy)propyl 2-chloro-5-fluoropyridine-3-carboxylate?
3-(2-methoxyethoxy)propyl 2-chloro-5-fluoropyridine-3-carboxylate has a molecular weight of 291.71 g/mol, XLogP of 2.08, 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-chloro-5-fluoropyridine-3-carboxylate is sourced from PubChem (CID 114035411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).