3-[(3-amino-5-bromo-2-pyridinyl)oxy]-5-methoxybenzonitrile

C13H10BrN3O2 — CID 103566354

IUPAC3-[(3-amino-5-bromo-2-pyridinyl)oxy]-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(Oc2ncc(Br)cc2N)c1
InChIInChI=1S/C13H10BrN3O2/c1-18-10-2-8(6-15)3-11(5-10)19-13-12(16)4-9(14)7-17-13/h2-5,7H,16H2,1H3
InChIKeyBSXYVVZFRFDCHF-UHFFFAOYSA-N
MW320.15 g/mol
LogP3.10
Rot. Bonds3

About 3-[(3-amino-5-bromo-2-pyridinyl)oxy]-5-methoxybenzonitrile

3-[(3-amino-5-bromo-2-pyridinyl)oxy]-5-methoxybenzonitrile (PubChem CID 103566354) has the molecular formula C13H10BrN3O2 and a molecular weight of 320.15 g/mol. Its IUPAC name is 3-[(3-amino-5-bromo-2-pyridinyl)oxy]-5-methoxybenzonitrile.

Molecular Properties

Compound Name3-[(3-amino-5-bromo-2-pyridinyl)oxy]-5-methoxybenzonitrile
PubChem CID103566354
Molecular FormulaC13H10BrN3O2
Molecular Weight320.15 g/mol
Exact Mass319.00
IUPAC Name3-[(3-amino-5-bromo-2-pyridinyl)oxy]-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(Oc2ncc(Br)cc2N)c1
InChIInChI=1S/C13H10BrN3O2/c1-18-10-2-8(6-15)3-11(5-10)19-13-12(16)4-9(14)7-17-13/h2-5,7H,16H2,1H3
InChIKeyBSXYVVZFRFDCHF-UHFFFAOYSA-N
XLogP3.10
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(3,5-dimethoxyphenoxy)pyridin-3-amine
CID 61227912
5-bromo-2-(3-cyano-5-methoxyphenoxy)pyridine-3-carboxylic acid
CID 103566598
2-(3,5-dimethoxyphenoxy)-5-methylpyridin-3-amine
CID 66278697
5-amino-2-(3,5-dimethoxyphenoxy)pyridine-3-carbonitrile
CID 60923806
3-(3-amino-5-methoxyphenoxy)-5-methoxybenzonitrile
CID 103566372
3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-5-methoxybenzonitrile
CID 103566343
3-[(2-amino-4-bromophenyl)methoxy]-5-methoxybenzonitrile
CID 103566498
5-bromo-2-(3-bromophenoxy)pyridin-3-amine
CID 61228290
[5-bromo-2-(3,5-dimethoxyphenoxy)-3-pyridinyl]methanol
CID 62001135
4-[(5-bromo-3-chloro-2-pyridinyl)oxy]benzonitrile
CID 103583574
3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-5-methoxybenzamide
CID 103568126
4-[(3-amino-5-methyl-2-pyridinyl)oxy]benzonitrile
CID 66280001

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-5-bromo-2-pyridinyl)oxy]-5-methoxybenzonitrile?
The IUPAC name of 3-[(3-amino-5-bromo-2-pyridinyl)oxy]-5-methoxybenzonitrile (CID 103566354) is 3-[(3-amino-5-bromo-2-pyridinyl)oxy]-5-methoxybenzonitrile.
What is the SMILES notation for 3-[(3-amino-5-bromo-2-pyridinyl)oxy]-5-methoxybenzonitrile?
The canonical SMILES for 3-[(3-amino-5-bromo-2-pyridinyl)oxy]-5-methoxybenzonitrile is COc1cc(C#N)cc(Oc2ncc(Br)cc2N)c1.
What is the InChIKey of 3-[(3-amino-5-bromo-2-pyridinyl)oxy]-5-methoxybenzonitrile?
The InChIKey is BSXYVVZFRFDCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2/c1-18-10-2-8(6-15)3-11(5-10)19-13-12(16)4-9(14)7-17-13/h2-5,7H,16H2,1H3.
What are the key properties of 3-[(3-amino-5-bromo-2-pyridinyl)oxy]-5-methoxybenzonitrile?
3-[(3-amino-5-bromo-2-pyridinyl)oxy]-5-methoxybenzonitrile has a molecular weight of 320.15 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-5-bromo-2-pyridinyl)oxy]-5-methoxybenzonitrile is sourced from PubChem (CID 103566354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).