5-[2-(4-bromophenyl)ethoxy]pyridine-2-carboxylic acid;ethane

C16H18BrNO3 — CID 143633946

IUPAC5-[2-(4-bromophenyl)ethoxy]pyridine-2-carboxylic acid;ethane
SMILESCC.O=C(O)c1ccc(OCCc2ccc(Br)cc2)cn1
InChIInChI=1S/C14H12BrNO3.C2H6/c15-11-3-1-10(2-4-11)7-8-19-12-5-6-13(14(17)18)16-9-12;1-2/h1-6,9H,7-8H2,(H,17,18);1-2H3
InChIKeyUOVFCEQZEGKUKN-UHFFFAOYSA-N
MW352.23 g/mol
LogP4.19
Rot. Bonds5

About 5-[2-(4-bromophenyl)ethoxy]pyridine-2-carboxylic acid;ethane

5-[2-(4-bromophenyl)ethoxy]pyridine-2-carboxylic acid;ethane (PubChem CID 143633946) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is 5-[2-(4-bromophenyl)ethoxy]pyridine-2-carboxylic acid;ethane.

Molecular Properties

Compound Name5-[2-(4-bromophenyl)ethoxy]pyridine-2-carboxylic acid;ethane
PubChem CID143633946
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name5-[2-(4-bromophenyl)ethoxy]pyridine-2-carboxylic acid;ethane
SMILESCC.O=C(O)c1ccc(OCCc2ccc(Br)cc2)cn1
InChIInChI=1S/C14H12BrNO3.C2H6/c15-11-3-1-10(2-4-11)7-8-19-12-5-6-13(14(17)18)16-9-12;1-2/h1-6,9H,7-8H2,(H,17,18);1-2H3
InChIKeyUOVFCEQZEGKUKN-UHFFFAOYSA-N
XLogP4.19
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromophenoxy)pyridine-2-carboxylic acid
CID 23335277
5-(2-phenoxyethoxy)pyridine-2-carboxylic acid
CID 79794959
5-(3-phenoxypropoxy)pyridine-2-carboxylic acid
CID 79793898
1-[5-(3-phenylpropoxy)-2-pyridinyl]ethanone
CID 83119690
methyl 4-[2-(4-bromophenyl)ethoxy]benzoate
CID 66812433
5-[2-(4-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 154857316
5-(3-cyanopropoxy)pyridine-2-carboxylic acid
CID 79794689
5-(4-ethoxy-4-oxobutoxy)pyridine-2-carboxylic acid
CID 156739390
5-(2-pyrrolidin-1-ylethoxy)pyridine-2-carboxylic acid
CID 79793888
5-(3-cyano-3-methylbutoxy)pyridine-2-carboxylic acid
CID 79794074
5-bromopyridine-2-carboxylic acid;hydrazine
CID 161359916
(4-bromophenyl)-(5-methoxy-2-pyridinyl)methanone
CID 170712986

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-bromophenyl)ethoxy]pyridine-2-carboxylic acid;ethane?
The IUPAC name of 5-[2-(4-bromophenyl)ethoxy]pyridine-2-carboxylic acid;ethane (CID 143633946) is 5-[2-(4-bromophenyl)ethoxy]pyridine-2-carboxylic acid;ethane.
What is the SMILES notation for 5-[2-(4-bromophenyl)ethoxy]pyridine-2-carboxylic acid;ethane?
The canonical SMILES for 5-[2-(4-bromophenyl)ethoxy]pyridine-2-carboxylic acid;ethane is CC.O=C(O)c1ccc(OCCc2ccc(Br)cc2)cn1.
What is the InChIKey of 5-[2-(4-bromophenyl)ethoxy]pyridine-2-carboxylic acid;ethane?
The InChIKey is UOVFCEQZEGKUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3.C2H6/c15-11-3-1-10(2-4-11)7-8-19-12-5-6-13(14(17)18)16-9-12;1-2/h1-6,9H,7-8H2,(H,17,18);1-2H3.
What are the key properties of 5-[2-(4-bromophenyl)ethoxy]pyridine-2-carboxylic acid;ethane?
5-[2-(4-bromophenyl)ethoxy]pyridine-2-carboxylic acid;ethane has a molecular weight of 352.23 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-bromophenyl)ethoxy]pyridine-2-carboxylic acid;ethane is sourced from PubChem (CID 143633946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).