5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine

C13H14BrN3O — CID 104536852

IUPAC5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine
SMILESCCCNc1cncc(Oc2cncc(Br)c2)c1
InChIInChI=1S/C13H14BrN3O/c1-2-3-17-11-5-13(9-16-7-11)18-12-4-10(14)6-15-8-12/h4-9,17H,2-3H2,1H3
InChIKeyXIKFMMKJWAFEFC-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.85
Rot. Bonds5

About 5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine

5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine (PubChem CID 104536852) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine.

Molecular Properties

Compound Name5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine
PubChem CID104536852
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine
SMILESCCCNc1cncc(Oc2cncc(Br)c2)c1
InChIInChI=1S/C13H14BrN3O/c1-2-3-17-11-5-13(9-16-7-11)18-12-4-10(14)6-15-8-12/h4-9,17H,2-3H2,1H3
InChIKeyXIKFMMKJWAFEFC-UHFFFAOYSA-N
XLogP3.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-bromo-2,3-difluorophenoxy)-N-propylpyridin-3-amine
CID 107102609
5-(3-tert-butylphenoxy)-N-propylpyridin-3-amine
CID 104536558
5-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyridin-3-amine
CID 116806496
5-butoxy-N-propylpyridin-3-amine
CID 104536219
N-propyl-5-[3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 104536494
5-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propylpyridin-3-amine
CID 104536945
5-(2,3-dimethylphenoxy)-N-propylpyridin-3-amine
CID 104536354
5-bromo-N-hexylpyridin-3-amine
CID 115656852
5-(2,3-dichlorophenoxy)-N-propylpyridin-3-amine
CID 104536489
5-(4-ethyl-2-methoxyphenoxy)-N-propylpyridin-3-amine
CID 107669663
5-(2-methyl-5-propan-2-ylphenoxy)-N-propylpyridin-3-amine
CID 104536595
5-N-[(4-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104532080

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine?
The IUPAC name of 5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine (CID 104536852) is 5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine.
What is the SMILES notation for 5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine?
The canonical SMILES for 5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine is CCCNc1cncc(Oc2cncc(Br)c2)c1.
What is the InChIKey of 5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine?
The InChIKey is XIKFMMKJWAFEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-2-3-17-11-5-13(9-16-7-11)18-12-4-10(14)6-15-8-12/h4-9,17H,2-3H2,1H3.
What are the key properties of 5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine?
5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine has a molecular weight of 308.18 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine is sourced from PubChem (CID 104536852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).