ethyl 2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxylate

C14H10BrF2NO3 — CID 107099524

IUPACethyl 2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1Oc1cc(Br)cc(F)c1F
InChIInChI=1S/C14H10BrF2NO3/c1-2-20-14(19)9-4-3-5-18-13(9)21-11-7-8(15)6-10(16)12(11)17/h3-7H,2H2,1H3
InChIKeyIJTMUCDWOUJYPZ-UHFFFAOYSA-N
MW358.14 g/mol
LogP4.09
Rot. Bonds4

About ethyl 2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxylate

ethyl 2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxylate (PubChem CID 107099524) has the molecular formula C14H10BrF2NO3 and a molecular weight of 358.14 g/mol. Its IUPAC name is ethyl 2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxylate
PubChem CID107099524
Molecular FormulaC14H10BrF2NO3
Molecular Weight358.14 g/mol
Exact Mass356.98
IUPAC Nameethyl 2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1Oc1cc(Br)cc(F)c1F
InChIInChI=1S/C14H10BrF2NO3/c1-2-20-14(19)9-4-3-5-18-13(9)21-11-7-8(15)6-10(16)12(11)17/h3-7H,2H2,1H3
InChIKeyIJTMUCDWOUJYPZ-UHFFFAOYSA-N
XLogP4.09
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.14
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2-bromophenoxy)pyridine-3-carboxylate
CID 24705692
2-(5-bromo-2,3-difluorophenoxy)-4-methylpyridine-3-carboxamide
CID 107099186
ethyl 2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate
CID 54292965
[3-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]methanamine
CID 107097306
5-amino-2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxamide
CID 107097469
ethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 21062877
ethyl 2-(3-formylphenoxy)pyridine-3-carboxylate
CID 54074518
ethyl 2-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylate
CID 47082860
ethyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate
CID 107285351
ethyl 2-[(4-benzyl-1,2,5-oxadiazol-3-yl)oxy]pyridine-3-carboxylate
CID 69206475
methyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
CID 60722701
methyl 2-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate
CID 79843451

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxylate (CID 107099524) is ethyl 2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxylate is CCOC(=O)c1cccnc1Oc1cc(Br)cc(F)c1F.
What is the InChIKey of ethyl 2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxylate?
The InChIKey is IJTMUCDWOUJYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO3/c1-2-20-14(19)9-4-3-5-18-13(9)21-11-7-8(15)6-10(16)12(11)17/h3-7H,2H2,1H3.
What are the key properties of ethyl 2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxylate?
ethyl 2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxylate has a molecular weight of 358.14 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxylate is sourced from PubChem (CID 107099524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).