3-(5-bromo-3-methyl-2-pyridinyl)butan-2-amine

C10H15BrN2 — CID 79718137

IUPAC3-(5-bromo-3-methyl-2-pyridinyl)butan-2-amine
SMILESCc1cc(Br)cnc1C(C)C(C)N
InChIInChI=1S/C10H15BrN2/c1-6-4-9(11)5-13-10(6)7(2)8(3)12/h4-5,7-8H,12H2,1-3H3
InChIKeyPDPMBZNRGNIGTG-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.60
Rot. Bonds2

About 3-(5-bromo-3-methyl-2-pyridinyl)butan-2-amine

3-(5-bromo-3-methyl-2-pyridinyl)butan-2-amine (PubChem CID 79718137) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 3-(5-bromo-3-methyl-2-pyridinyl)butan-2-amine.

Molecular Properties

Compound Name3-(5-bromo-3-methyl-2-pyridinyl)butan-2-amine
PubChem CID79718137
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name3-(5-bromo-3-methyl-2-pyridinyl)butan-2-amine
SMILESCc1cc(Br)cnc1C(C)C(C)N
InChIInChI=1S/C10H15BrN2/c1-6-4-9(11)5-13-10(6)7(2)8(3)12/h4-5,7-8H,12H2,1-3H3
InChIKeyPDPMBZNRGNIGTG-UHFFFAOYSA-N
XLogP2.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-methyl-2-pyridinyl)butan-2-amine?
The IUPAC name of 3-(5-bromo-3-methyl-2-pyridinyl)butan-2-amine (CID 79718137) is 3-(5-bromo-3-methyl-2-pyridinyl)butan-2-amine.
What is the SMILES notation for 3-(5-bromo-3-methyl-2-pyridinyl)butan-2-amine?
The canonical SMILES for 3-(5-bromo-3-methyl-2-pyridinyl)butan-2-amine is Cc1cc(Br)cnc1C(C)C(C)N.
What is the InChIKey of 3-(5-bromo-3-methyl-2-pyridinyl)butan-2-amine?
The InChIKey is PDPMBZNRGNIGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-6-4-9(11)5-13-10(6)7(2)8(3)12/h4-5,7-8H,12H2,1-3H3.
What are the key properties of 3-(5-bromo-3-methyl-2-pyridinyl)butan-2-amine?
3-(5-bromo-3-methyl-2-pyridinyl)butan-2-amine has a molecular weight of 243.15 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-methyl-2-pyridinyl)butan-2-amine is sourced from PubChem (CID 79718137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).