5-bromo-N-(2-methoxyethyl)pyridin-3-amine

C8H11BrN2O — CID 99703569

IUPAC5-bromo-N-(2-methoxyethyl)pyridin-3-amine
SMILESCOCCNc1cncc(Br)c1
InChIInChI=1S/C8H11BrN2O/c1-12-3-2-11-8-4-7(9)5-10-6-8/h4-6,11H,2-3H2,1H3
InChIKeyCBRBUUPKQHHSQN-UHFFFAOYSA-N
MW231.09 g/mol
LogP1.90
Rot. Bonds4

About 5-bromo-N-(2-methoxyethyl)pyridin-3-amine

5-bromo-N-(2-methoxyethyl)pyridin-3-amine (PubChem CID 99703569) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxyethyl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-(2-methoxyethyl)pyridin-3-amine
PubChem CID99703569
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name5-bromo-N-(2-methoxyethyl)pyridin-3-amine
SMILESCOCCNc1cncc(Br)c1
InChIInChI=1S/C8H11BrN2O/c1-12-3-2-11-8-4-7(9)5-10-6-8/h4-6,11H,2-3H2,1H3
InChIKeyCBRBUUPKQHHSQN-UHFFFAOYSA-N
XLogP1.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-Bromopyridin-3-amine
CID 642811
3-Amino-2-bromopyridine
CID 642816
3-Amino-5-bromopyridine
CID 817681
1-(6-Bromopyridin-3-yl)-1,4-diazepane
CID 10131290
1-(6-Bromopyridin-3-yl)-1,5-diazocane
CID 11516571
1-(6-Bromopyridin-3-yl)piperazine
CID 9878090
1-(5-Bromopyridin-3-yl)-1,5-diazocane
CID 11615990
5-Bromo-2-methylpyridin-3-amine
CID 21964096
6-bromo-N-methylpyridin-3-amine
CID 817178
5-Amino-2-bromopyridine, 5-BOC protected
CID 7204889
5-Bromo-N3-methyl-2,3-pyridinediamine
CID 10035731
4-(5-Bromopyridin-3-yl)morpholine
CID 46739614

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxyethyl)pyridin-3-amine?
The IUPAC name of 5-bromo-N-(2-methoxyethyl)pyridin-3-amine (CID 99703569) is 5-bromo-N-(2-methoxyethyl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-(2-methoxyethyl)pyridin-3-amine?
The canonical SMILES for 5-bromo-N-(2-methoxyethyl)pyridin-3-amine is COCCNc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-methoxyethyl)pyridin-3-amine?
The InChIKey is CBRBUUPKQHHSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c1-12-3-2-11-8-4-7(9)5-10-6-8/h4-6,11H,2-3H2,1H3.
What are the key properties of 5-bromo-N-(2-methoxyethyl)pyridin-3-amine?
5-bromo-N-(2-methoxyethyl)pyridin-3-amine has a molecular weight of 231.09 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methoxyethyl)pyridin-3-amine is sourced from PubChem (CID 99703569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).