5-bromo-4-propoxypyridin-3-amine

C8H11BrN2O — CID 103518752

IUPAC5-bromo-4-propoxypyridin-3-amine
SMILESCCCOc1c(N)cncc1Br
InChIInChI=1S/C8H11BrN2O/c1-2-3-12-8-6(9)4-11-5-7(8)10/h4-5H,2-3,10H2,1H3
InChIKeyQNMYGBLLZNXXNE-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.22
Rot. Bonds3

About 5-bromo-4-propoxypyridin-3-amine

5-bromo-4-propoxypyridin-3-amine (PubChem CID 103518752) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 5-bromo-4-propoxypyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-propoxypyridin-3-amine
PubChem CID103518752
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name5-bromo-4-propoxypyridin-3-amine
SMILESCCCOc1c(N)cncc1Br
InChIInChI=1S/C8H11BrN2O/c1-2-3-12-8-6(9)4-11-5-7(8)10/h4-5H,2-3,10H2,1H3
InChIKeyQNMYGBLLZNXXNE-UHFFFAOYSA-N
XLogP2.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-(2-butoxyethoxy)pyridin-3-amine
CID 103518731
5-bromo-4-[2-(dimethylamino)ethoxy]pyridin-3-amine
CID 103518771
5-bromo-4-[3-(dimethylamino)propoxy]pyridin-3-amine
CID 103518774
5-bromo-4-N-(3-butoxypropyl)pyridine-3,4-diamine
CID 103518486
5-bromo-4-(2,3,6-trimethylphenoxy)pyridin-3-amine
CID 103518744
3,5-dibromo-2-propoxypyridin-4-amine
CID 130114443
(3,5-dibromo-4-propoxyphenyl)methanamine
CID 107741477
3-bromo-5-fluoro-2-(2-propoxyethoxy)aniline
CID 106449299
5-bromo-4-naphthalen-1-yloxypyridin-3-amine
CID 103518682
5-bromo-4-N-(2,2-dimethylbutyl)pyridine-3,4-diamine
CID 103518598
3-bromo-5-ethoxy-4-methoxypyridine
CID 105490406
3-bromo-5-tert-butyl-2-(2-propoxyethoxy)aniline
CID 54853170

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-propoxypyridin-3-amine?
The IUPAC name of 5-bromo-4-propoxypyridin-3-amine (CID 103518752) is 5-bromo-4-propoxypyridin-3-amine.
What is the SMILES notation for 5-bromo-4-propoxypyridin-3-amine?
The canonical SMILES for 5-bromo-4-propoxypyridin-3-amine is CCCOc1c(N)cncc1Br.
What is the InChIKey of 5-bromo-4-propoxypyridin-3-amine?
The InChIKey is QNMYGBLLZNXXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c1-2-3-12-8-6(9)4-11-5-7(8)10/h4-5H,2-3,10H2,1H3.
What are the key properties of 5-bromo-4-propoxypyridin-3-amine?
5-bromo-4-propoxypyridin-3-amine has a molecular weight of 231.09 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-propoxypyridin-3-amine is sourced from PubChem (CID 103518752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).