ethyl 2-(2-bromophenoxy)pyridine-3-carboxylate

C14H12BrNO3 — CID 24705692

IUPACethyl 2-(2-bromophenoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1Oc1ccccc1Br
InChIInChI=1S/C14H12BrNO3/c1-2-18-14(17)10-6-5-9-16-13(10)19-12-8-4-3-7-11(12)15/h3-9H,2H2,1H3
InChIKeyQAXUPOPYSOLHQN-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.81
Rot. Bonds4

About ethyl 2-(2-bromophenoxy)pyridine-3-carboxylate

ethyl 2-(2-bromophenoxy)pyridine-3-carboxylate (PubChem CID 24705692) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is ethyl 2-(2-bromophenoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-bromophenoxy)pyridine-3-carboxylate
PubChem CID24705692
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC Nameethyl 2-(2-bromophenoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1Oc1ccccc1Br
InChIInChI=1S/C14H12BrNO3/c1-2-18-14(17)10-6-5-9-16-13(10)19-12-8-4-3-7-11(12)15/h3-9H,2H2,1H3
InChIKeyQAXUPOPYSOLHQN-UHFFFAOYSA-N
XLogP3.81
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxylate
CID 107099524
ethyl 3-amino-2-(2-bromophenoxy)benzoate
CID 115935679
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
ethyl 2-[(4-benzyl-1,2,5-oxadiazol-3-yl)oxy]pyridine-3-carboxylate
CID 69206475
methyl 2-(5-amino-2-bromophenoxy)pyridine-3-carboxylate
CID 103011853
methyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
CID 60722701
ethyl 2-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylate
CID 47082860
ethyl 2-(3-formylphenoxy)pyridine-3-carboxylate
CID 54074518
ethyl 2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate
CID 54292965
[2-(2-bromophenoxy)-3-pyridinyl]methanol
CID 61256696
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
ethyl 2-chloroselanylpyridine-3-carboxylate
CID 145320288

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bromophenoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(2-bromophenoxy)pyridine-3-carboxylate (CID 24705692) is ethyl 2-(2-bromophenoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-bromophenoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(2-bromophenoxy)pyridine-3-carboxylate is CCOC(=O)c1cccnc1Oc1ccccc1Br.
What is the InChIKey of ethyl 2-(2-bromophenoxy)pyridine-3-carboxylate?
The InChIKey is QAXUPOPYSOLHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c1-2-18-14(17)10-6-5-9-16-13(10)19-12-8-4-3-7-11(12)15/h3-9H,2H2,1H3.
What are the key properties of ethyl 2-(2-bromophenoxy)pyridine-3-carboxylate?
ethyl 2-(2-bromophenoxy)pyridine-3-carboxylate has a molecular weight of 322.16 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-bromophenoxy)pyridine-3-carboxylate is sourced from PubChem (CID 24705692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).