(3-bromo-4-pyridinyl)methanamine;dihydrochloride

C6H9BrCl2N2 — CID 119081459

IUPAC(3-bromo-4-pyridinyl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1ccncc1Br
InChIInChI=1S/C6H7BrN2.2ClH/c7-6-4-9-2-1-5(6)3-8;;/h1-2,4H,3,8H2;2*1H
InChIKeyNMZYXXLUZZJLIJ-UHFFFAOYSA-N
MW259.96 g/mol
LogP2.15
Rot. Bonds1

About (3-bromo-4-pyridinyl)methanamine;dihydrochloride

(3-bromo-4-pyridinyl)methanamine;dihydrochloride (PubChem CID 119081459) has the molecular formula C6H9BrCl2N2 and a molecular weight of 259.96 g/mol. Its IUPAC name is (3-bromo-4-pyridinyl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(3-bromo-4-pyridinyl)methanamine;dihydrochloride
PubChem CID119081459
Molecular FormulaC6H9BrCl2N2
Molecular Weight259.96 g/mol
Exact Mass257.93
IUPAC Name(3-bromo-4-pyridinyl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1ccncc1Br
InChIInChI=1S/C6H7BrN2.2ClH/c7-6-4-9-2-1-5(6)3-8;;/h1-2,4H,3,8H2;2*1H
InChIKeyNMZYXXLUZZJLIJ-UHFFFAOYSA-N
XLogP2.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.96
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-pyridinyl)methanamine;dihydrochloride?
The IUPAC name of (3-bromo-4-pyridinyl)methanamine;dihydrochloride (CID 119081459) is (3-bromo-4-pyridinyl)methanamine;dihydrochloride.
What is the SMILES notation for (3-bromo-4-pyridinyl)methanamine;dihydrochloride?
The canonical SMILES for (3-bromo-4-pyridinyl)methanamine;dihydrochloride is Cl.Cl.NCc1ccncc1Br.
What is the InChIKey of (3-bromo-4-pyridinyl)methanamine;dihydrochloride?
The InChIKey is NMZYXXLUZZJLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2.2ClH/c7-6-4-9-2-1-5(6)3-8;;/h1-2,4H,3,8H2;2*1H.
What are the key properties of (3-bromo-4-pyridinyl)methanamine;dihydrochloride?
(3-bromo-4-pyridinyl)methanamine;dihydrochloride has a molecular weight of 259.96 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-pyridinyl)methanamine;dihydrochloride is sourced from PubChem (CID 119081459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).