(5-bromo-3-pyridinyl)methanamine

C6H7BrN2 — CID 22992264

IUPAC(5-bromo-3-pyridinyl)methanamine
SMILESNCc1cncc(Br)c1
InChIInChI=1S/C6H7BrN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H,2,8H2
InChIKeyOQUHYNMITHDQLD-UHFFFAOYSA-N
MW187.04 g/mol
LogP1.30
Rot. Bonds1

About (5-bromo-3-pyridinyl)methanamine

(5-bromo-3-pyridinyl)methanamine (PubChem CID 22992264) has the molecular formula C6H7BrN2 and a molecular weight of 187.04 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)methanamine
PubChem CID22992264
Molecular FormulaC6H7BrN2
Molecular Weight187.04 g/mol
Exact Mass185.98
IUPAC Name(5-bromo-3-pyridinyl)methanamine
SMILESNCc1cncc(Br)c1
InChIInChI=1S/C6H7BrN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H,2,8H2
InChIKeyOQUHYNMITHDQLD-UHFFFAOYSA-N
XLogP1.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.04
LogP ≤ 51.30
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)methanamine?
The IUPAC name of (5-bromo-3-pyridinyl)methanamine (CID 22992264) is (5-bromo-3-pyridinyl)methanamine.
What is the SMILES notation for (5-bromo-3-pyridinyl)methanamine?
The canonical SMILES for (5-bromo-3-pyridinyl)methanamine is NCc1cncc(Br)c1.
What is the InChIKey of (5-bromo-3-pyridinyl)methanamine?
The InChIKey is OQUHYNMITHDQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H,2,8H2.
What are the key properties of (5-bromo-3-pyridinyl)methanamine?
(5-bromo-3-pyridinyl)methanamine has a molecular weight of 187.04 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)methanamine is sourced from PubChem (CID 22992264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).