5-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine

C9H13BrN2O — CID 71862615

IUPAC5-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine
SMILESCOCC(C)Nc1cncc(Br)c1
InChIInChI=1S/C9H13BrN2O/c1-7(6-13-2)12-9-3-8(10)4-11-5-9/h3-5,7,12H,6H2,1-2H3
InChIKeyIDKPZYGOZMWVBE-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.29
Rot. Bonds4

About 5-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine

5-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine (PubChem CID 71862615) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 5-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine
PubChem CID71862615
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name5-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine
SMILESCOCC(C)Nc1cncc(Br)c1
InChIInChI=1S/C9H13BrN2O/c1-7(6-13-2)12-9-3-8(10)4-11-5-9/h3-5,7,12H,6H2,1-2H3
InChIKeyIDKPZYGOZMWVBE-UHFFFAOYSA-N
XLogP2.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine (CID 71862615) is 5-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine is COCC(C)Nc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine?
The InChIKey is IDKPZYGOZMWVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-7(6-13-2)12-9-3-8(10)4-11-5-9/h3-5,7,12H,6H2,1-2H3.
What are the key properties of 5-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine?
5-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine has a molecular weight of 245.12 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine is sourced from PubChem (CID 71862615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).