5-bromo-2-(3-cyano-5-methoxyphenoxy)pyridine-3-carboxylic acid

C14H9BrN2O4 — CID 103566598

IUPAC5-bromo-2-(3-cyano-5-methoxyphenoxy)pyridine-3-carboxylic acid
SMILESCOc1cc(C#N)cc(Oc2ncc(Br)cc2C(=O)O)c1
InChIInChI=1S/C14H9BrN2O4/c1-20-10-2-8(6-16)3-11(5-10)21-13-12(14(18)19)4-9(15)7-17-13/h2-5,7H,1H3,(H,18,19)
InChIKeySZSASASOOJRDMA-UHFFFAOYSA-N
MW349.14 g/mol
LogP3.21
Rot. Bonds4

About 5-bromo-2-(3-cyano-5-methoxyphenoxy)pyridine-3-carboxylic acid

5-bromo-2-(3-cyano-5-methoxyphenoxy)pyridine-3-carboxylic acid (PubChem CID 103566598) has the molecular formula C14H9BrN2O4 and a molecular weight of 349.14 g/mol. Its IUPAC name is 5-bromo-2-(3-cyano-5-methoxyphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(3-cyano-5-methoxyphenoxy)pyridine-3-carboxylic acid
PubChem CID103566598
Molecular FormulaC14H9BrN2O4
Molecular Weight349.14 g/mol
Exact Mass347.97
IUPAC Name5-bromo-2-(3-cyano-5-methoxyphenoxy)pyridine-3-carboxylic acid
SMILESCOc1cc(C#N)cc(Oc2ncc(Br)cc2C(=O)O)c1
InChIInChI=1S/C14H9BrN2O4/c1-20-10-2-8(6-16)3-11(5-10)21-13-12(14(18)19)4-9(15)7-17-13/h2-5,7H,1H3,(H,18,19)
InChIKeySZSASASOOJRDMA-UHFFFAOYSA-N
XLogP3.21
TPSA92.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.14
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-amino-5-bromo-2-pyridinyl)oxy]-5-methoxybenzonitrile
CID 103566354
3-(3-cyano-5-methoxyphenoxy)pyridine-4-carboxylic acid
CID 103566591
3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-5-methoxybenzamide
CID 103568126
3-(3-cyano-5-methoxyphenoxy)benzoic acid
CID 103567890
5-bromo-2-(3,5-dimethoxyphenoxy)pyridin-3-amine
CID 61227912
[5-bromo-2-(3,5-dimethoxyphenoxy)-3-pyridinyl]methanol
CID 62001135
4-(3-cyano-5-methoxyphenoxy)benzoic acid
CID 103566581
2-(3-cyano-5-methoxyphenoxy)-3-fluorobenzoic acid
CID 103566607
5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53223784
5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboxylic acid
CID 104560416
4-[(5-bromo-3-chloro-2-pyridinyl)oxy]benzonitrile
CID 103583574
3-[(5-bromo-3-pyridinyl)methoxy]-5-methoxybenzonitrile
CID 103567139

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-cyano-5-methoxyphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-(3-cyano-5-methoxyphenoxy)pyridine-3-carboxylic acid (CID 103566598) is 5-bromo-2-(3-cyano-5-methoxyphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(3-cyano-5-methoxyphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-(3-cyano-5-methoxyphenoxy)pyridine-3-carboxylic acid is COc1cc(C#N)cc(Oc2ncc(Br)cc2C(=O)O)c1.
What is the InChIKey of 5-bromo-2-(3-cyano-5-methoxyphenoxy)pyridine-3-carboxylic acid?
The InChIKey is SZSASASOOJRDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O4/c1-20-10-2-8(6-16)3-11(5-10)21-13-12(14(18)19)4-9(15)7-17-13/h2-5,7H,1H3,(H,18,19).
What are the key properties of 5-bromo-2-(3-cyano-5-methoxyphenoxy)pyridine-3-carboxylic acid?
5-bromo-2-(3-cyano-5-methoxyphenoxy)pyridine-3-carboxylic acid has a molecular weight of 349.14 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-cyano-5-methoxyphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 103566598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).