ethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate

C10H10ClF2NO3 — CID 134663529

IUPACethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(Cl)c(OC)c1C(F)F
InChIInChI=1S/C10H10ClF2NO3/c1-3-17-10(15)5-4-14-8(11)7(16-2)6(5)9(12)13/h4,9H,3H2,1-2H3
InChIKeyQALPDGQKDGWLKL-UHFFFAOYSA-N
MW265.64 g/mol
LogP2.86
Rot. Bonds4

About ethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate

ethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate (PubChem CID 134663529) has the molecular formula C10H10ClF2NO3 and a molecular weight of 265.64 g/mol. Its IUPAC name is ethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate
PubChem CID134663529
Molecular FormulaC10H10ClF2NO3
Molecular Weight265.64 g/mol
Exact Mass265.03
IUPAC Nameethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(Cl)c(OC)c1C(F)F
InChIInChI=1S/C10H10ClF2NO3/c1-3-17-10(15)5-4-14-8(11)7(16-2)6(5)9(12)13/h4,9H,3H2,1-2H3
InChIKeyQALPDGQKDGWLKL-UHFFFAOYSA-N
XLogP2.86
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.64
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 134669516
ethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate
CID 133103473
ethyl 5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
CID 134674108
ethyl 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carboxylate
CID 134671019
ethyl 5-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxylate
CID 133098576
ethyl 4-(difluoromethyl)-6-methoxy-5-nitropyridine-3-carboxylate
CID 133099296
ethyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate
CID 133103341
ethyl 4-chloro-6-(difluoromethyl)pyridine-3-carboxylate
CID 133088345
ethyl 6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134675420
ethyl 5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 133100682
ethyl 6-bromo-5-(bromomethyl)-4-(difluoromethyl)pyridine-3-carboxylate
CID 134667767
ethyl 5-chloro-3-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 134674440

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate?
The IUPAC name of ethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate (CID 134663529) is ethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate is CCOC(=O)c1cnc(Cl)c(OC)c1C(F)F.
What is the InChIKey of ethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate?
The InChIKey is QALPDGQKDGWLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO3/c1-3-17-10(15)5-4-14-8(11)7(16-2)6(5)9(12)13/h4,9H,3H2,1-2H3.
What are the key properties of ethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate?
ethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate has a molecular weight of 265.64 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate is sourced from PubChem (CID 134663529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).