3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-5-methoxybenzamide

C14H13BrN2O3 — CID 103568126

IUPAC3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-5-methoxybenzamide
SMILESCOc1cc(Oc2ncc(Br)cc2C)cc(C(N)=O)c1
InChIInChI=1S/C14H13BrN2O3/c1-8-3-10(15)7-17-14(8)20-12-5-9(13(16)18)4-11(6-12)19-2/h3-7H,1-2H3,(H2,16,18)
InChIKeyUYUHDGJCIDPNGX-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.05
Rot. Bonds4

About 3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-5-methoxybenzamide

3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-5-methoxybenzamide (PubChem CID 103568126) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is 3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-5-methoxybenzamide.

Molecular Properties

Compound Name3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-5-methoxybenzamide
PubChem CID103568126
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-5-methoxybenzamide
SMILESCOc1cc(Oc2ncc(Br)cc2C)cc(C(N)=O)c1
InChIInChI=1S/C14H13BrN2O3/c1-8-3-10(15)7-17-14(8)20-12-5-9(13(16)18)4-11(6-12)19-2/h3-7H,1-2H3,(H2,16,18)
InChIKeyUYUHDGJCIDPNGX-UHFFFAOYSA-N
XLogP3.05
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-amino-4-methyl-2-pyridinyl)oxy]-5-methoxybenzamide
CID 103566450
5-bromo-2-(3,5-dimethoxyphenoxy)pyridin-3-amine
CID 61227912
5-(3-carbamoyl-5-methoxyphenoxy)pyridine-2-carboxylic acid
CID 103566619
5-bromo-2-(3-cyano-5-methoxyphenoxy)pyridine-3-carboxylic acid
CID 103566598
[5-bromo-2-(3,5-dimethoxyphenoxy)-3-pyridinyl]methanol
CID 62001135
5-bromo-2-(4-bromophenoxy)-3-methylpyridine
CID 79713445
3-[(3-amino-6-methoxy-2-pyridinyl)oxy]-5-methoxybenzamide
CID 103566452
3-[(3-amino-5-bromo-2-pyridinyl)oxy]-5-methoxybenzonitrile
CID 103566354
5-bromo-2-methoxypyridine-3-carboxamide
CID 70281718
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)oxy]-5-methoxybenzamide
CID 103568121
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]-5-methoxybenzamide
CID 103568127
6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80631293

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-5-methoxybenzamide?
The IUPAC name of 3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-5-methoxybenzamide (CID 103568126) is 3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-5-methoxybenzamide.
What is the SMILES notation for 3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-5-methoxybenzamide?
The canonical SMILES for 3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-5-methoxybenzamide is COc1cc(Oc2ncc(Br)cc2C)cc(C(N)=O)c1.
What is the InChIKey of 3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-5-methoxybenzamide?
The InChIKey is UYUHDGJCIDPNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-8-3-10(15)7-17-14(8)20-12-5-9(13(16)18)4-11(6-12)19-2/h3-7H,1-2H3,(H2,16,18).
What are the key properties of 3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-5-methoxybenzamide?
3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-5-methoxybenzamide has a molecular weight of 337.17 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-5-methoxybenzamide is sourced from PubChem (CID 103568126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).