(5-bromo-3-pyridinyl)-cyclopropylmethanamine

C9H11BrN2 — CID 79016233

IUPAC(5-bromo-3-pyridinyl)-cyclopropylmethanamine
SMILESNC(c1cncc(Br)c1)C1CC1
InChIInChI=1S/C9H11BrN2/c10-8-3-7(4-12-5-8)9(11)6-1-2-6/h3-6,9H,1-2,11H2
InChIKeyUTZPXWHGEBKSKC-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.25
Rot. Bonds2

About (5-bromo-3-pyridinyl)-cyclopropylmethanamine

(5-bromo-3-pyridinyl)-cyclopropylmethanamine (PubChem CID 79016233) has the molecular formula C9H11BrN2 and a molecular weight of 227.10 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-cyclopropylmethanamine.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-cyclopropylmethanamine
PubChem CID79016233
Molecular FormulaC9H11BrN2
Molecular Weight227.10 g/mol
Exact Mass226.01
IUPAC Name(5-bromo-3-pyridinyl)-cyclopropylmethanamine
SMILESNC(c1cncc(Br)c1)C1CC1
InChIInChI=1S/C9H11BrN2/c10-8-3-7(4-12-5-8)9(11)6-1-2-6/h3-6,9H,1-2,11H2
InChIKeyUTZPXWHGEBKSKC-UHFFFAOYSA-N
XLogP2.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-cyclopropylmethanamine?
The IUPAC name of (5-bromo-3-pyridinyl)-cyclopropylmethanamine (CID 79016233) is (5-bromo-3-pyridinyl)-cyclopropylmethanamine.
What is the SMILES notation for (5-bromo-3-pyridinyl)-cyclopropylmethanamine?
The canonical SMILES for (5-bromo-3-pyridinyl)-cyclopropylmethanamine is NC(c1cncc(Br)c1)C1CC1.
What is the InChIKey of (5-bromo-3-pyridinyl)-cyclopropylmethanamine?
The InChIKey is UTZPXWHGEBKSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2/c10-8-3-7(4-12-5-8)9(11)6-1-2-6/h3-6,9H,1-2,11H2.
What are the key properties of (5-bromo-3-pyridinyl)-cyclopropylmethanamine?
(5-bromo-3-pyridinyl)-cyclopropylmethanamine has a molecular weight of 227.10 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-cyclopropylmethanamine is sourced from PubChem (CID 79016233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).