methyl 2-[(5-bromo-2-pyridinyl)oxy]-4-ethoxybenzoate

C15H14BrNO4 — CID 168964124

IUPACmethyl 2-[(5-bromo-2-pyridinyl)oxy]-4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OC)c(Oc2ccc(Br)cn2)c1
InChIInChI=1S/C15H14BrNO4/c1-3-20-11-5-6-12(15(18)19-2)13(8-11)21-14-7-4-10(16)9-17-14/h4-9H,3H2,1-2H3
InChIKeyPDDCBJBESFUVTO-UHFFFAOYSA-N
MW352.18 g/mol
LogP3.82
Rot. Bonds5

About methyl 2-[(5-bromo-2-pyridinyl)oxy]-4-ethoxybenzoate

methyl 2-[(5-bromo-2-pyridinyl)oxy]-4-ethoxybenzoate (PubChem CID 168964124) has the molecular formula C15H14BrNO4 and a molecular weight of 352.18 g/mol. Its IUPAC name is methyl 2-[(5-bromo-2-pyridinyl)oxy]-4-ethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(5-bromo-2-pyridinyl)oxy]-4-ethoxybenzoate
PubChem CID168964124
Molecular FormulaC15H14BrNO4
Molecular Weight352.18 g/mol
Exact Mass351.01
IUPAC Namemethyl 2-[(5-bromo-2-pyridinyl)oxy]-4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OC)c(Oc2ccc(Br)cn2)c1
InChIInChI=1S/C15H14BrNO4/c1-3-20-11-5-6-12(15(18)19-2)13(8-11)21-14-7-4-10(16)9-17-14/h4-9H,3H2,1-2H3
InChIKeyPDDCBJBESFUVTO-UHFFFAOYSA-N
XLogP3.82
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-bromo-2-pyridinyl)oxy]-4-methoxybenzoic acid
CID 61395986
methyl 2-[2-(4-bromophenoxy)ethoxy]-4-methoxybenzoate
CID 7705076
methyl 2-(bromomethyl)-5-ethoxybenzoate
CID 86723822
(4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate
CID 59169198
methyl 3-bromo-5-ethoxy-2-hydroxybenzoate
CID 90416815
methyl 5-bromo-2-[3-(4-ethoxyphenyl)phenoxy]benzoate
CID 139491181
methyl 2-bromo-4-(4-ethoxybenzoyl)benzoate
CID 89453280
ethyl 2-[4-[(5-bromo-2-pyridinyl)oxy]phenoxy]propanoate
CID 21162883
(2-bromo-4-ethoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107949965
2-[(5-bromo-2-pyridinyl)oxy]-5-iodobenzoic acid
CID 107732384
4-bromo-2-(3-ethoxyphenoxy)benzoic acid
CID 62335777
methyl 2-[(5-bromo-2-pyridinyl)oxy]acetate
CID 67448774

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromo-2-pyridinyl)oxy]-4-ethoxybenzoate?
The IUPAC name of methyl 2-[(5-bromo-2-pyridinyl)oxy]-4-ethoxybenzoate (CID 168964124) is methyl 2-[(5-bromo-2-pyridinyl)oxy]-4-ethoxybenzoate.
What is the SMILES notation for methyl 2-[(5-bromo-2-pyridinyl)oxy]-4-ethoxybenzoate?
The canonical SMILES for methyl 2-[(5-bromo-2-pyridinyl)oxy]-4-ethoxybenzoate is CCOc1ccc(C(=O)OC)c(Oc2ccc(Br)cn2)c1.
What is the InChIKey of methyl 2-[(5-bromo-2-pyridinyl)oxy]-4-ethoxybenzoate?
The InChIKey is PDDCBJBESFUVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO4/c1-3-20-11-5-6-12(15(18)19-2)13(8-11)21-14-7-4-10(16)9-17-14/h4-9H,3H2,1-2H3.
What are the key properties of methyl 2-[(5-bromo-2-pyridinyl)oxy]-4-ethoxybenzoate?
methyl 2-[(5-bromo-2-pyridinyl)oxy]-4-ethoxybenzoate has a molecular weight of 352.18 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromo-2-pyridinyl)oxy]-4-ethoxybenzoate is sourced from PubChem (CID 168964124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).