N-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine

C12H12BrN3 — CID 115745327

IUPACN-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine
SMILESBrc1cncc(CNCc2ccncc2)c1
InChIInChI=1S/C12H12BrN3/c13-12-5-11(8-16-9-12)7-15-6-10-1-3-14-4-2-10/h1-5,8-9,15H,6-7H2
InChIKeyPWJCQNKUJSDGIZ-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.53
Rot. Bonds4

About N-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine

N-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine (PubChem CID 115745327) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine
PubChem CID115745327
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine
SMILESBrc1cncc(CNCc2ccncc2)c1
InChIInChI=1S/C12H12BrN3/c13-12-5-11(8-16-9-12)7-15-6-10-1-3-14-4-2-10/h1-5,8-9,15H,6-7H2
InChIKeyPWJCQNKUJSDGIZ-UHFFFAOYSA-N
XLogP2.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 834417
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-methylsulfonylphenyl)methanamine
CID 104796856
N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylphenyl)methanamine
CID 104796752
N-[(5-bromo-3-pyridinyl)methyl]-1-(3-chloro-4-fluorophenyl)methanamine
CID 113454158
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-bromo-3-pyridinyl)methanamine
CID 113454135
1-(5-bromo-3-pyridinyl)-N-iodomethanamine
CID 91903017
N-[(5-bromo-3-pyridinyl)methyl]-3-iodopropan-1-amine
CID 114503620
1-(5-bromo-3-pyridinyl)-3-pyridin-4-ylpropan-2-one
CID 104798805
N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 28833082
N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 104796903
1-[(5-bromo-3-pyridinyl)methylamino]-2-methylpropan-2-ol
CID 104796974
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine (CID 115745327) is N-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine is Brc1cncc(CNCc2ccncc2)c1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is PWJCQNKUJSDGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c13-12-5-11(8-16-9-12)7-15-6-10-1-3-14-4-2-10/h1-5,8-9,15H,6-7H2.
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine?
N-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 278.15 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 115745327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).