(3-bromo-5-methyl-4-pyridinyl)methanamine

C7H9BrN2 — CID 84669814

IUPAC(3-bromo-5-methyl-4-pyridinyl)methanamine
SMILESCc1cncc(Br)c1CN
InChIInChI=1S/C7H9BrN2/c1-5-3-10-4-7(8)6(5)2-9/h3-4H,2,9H2,1H3
InChIKeyDAEBEPUDXBXKMY-UHFFFAOYSA-N
MW201.07 g/mol
LogP1.61
Rot. Bonds1

About (3-bromo-5-methyl-4-pyridinyl)methanamine

(3-bromo-5-methyl-4-pyridinyl)methanamine (PubChem CID 84669814) has the molecular formula C7H9BrN2 and a molecular weight of 201.07 g/mol. Its IUPAC name is (3-bromo-5-methyl-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-methyl-4-pyridinyl)methanamine
PubChem CID84669814
Molecular FormulaC7H9BrN2
Molecular Weight201.07 g/mol
Exact Mass199.99
IUPAC Name(3-bromo-5-methyl-4-pyridinyl)methanamine
SMILESCc1cncc(Br)c1CN
InChIInChI=1S/C7H9BrN2/c1-5-3-10-4-7(8)6(5)2-9/h3-4H,2,9H2,1H3
InChIKeyDAEBEPUDXBXKMY-UHFFFAOYSA-N
XLogP1.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methyl-4-pyridinyl)methanamine?
The IUPAC name of (3-bromo-5-methyl-4-pyridinyl)methanamine (CID 84669814) is (3-bromo-5-methyl-4-pyridinyl)methanamine.
What is the SMILES notation for (3-bromo-5-methyl-4-pyridinyl)methanamine?
The canonical SMILES for (3-bromo-5-methyl-4-pyridinyl)methanamine is Cc1cncc(Br)c1CN.
What is the InChIKey of (3-bromo-5-methyl-4-pyridinyl)methanamine?
The InChIKey is DAEBEPUDXBXKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2/c1-5-3-10-4-7(8)6(5)2-9/h3-4H,2,9H2,1H3.
What are the key properties of (3-bromo-5-methyl-4-pyridinyl)methanamine?
(3-bromo-5-methyl-4-pyridinyl)methanamine has a molecular weight of 201.07 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methyl-4-pyridinyl)methanamine is sourced from PubChem (CID 84669814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).