N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-bromo-3-pyridinyl)methanamine

C13H11Br2FN2 — CID 113454135

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-1-(5-bromo-3-pyridinyl)methanamine
SMILESFc1ccc(Br)c(CNCc2cncc(Br)c2)c1
InChIInChI=1S/C13H11Br2FN2/c14-11-3-9(6-18-8-11)5-17-7-10-4-12(16)1-2-13(10)15/h1-4,6,8,17H,5,7H2
InChIKeyNPYVVGBCNHBSRF-UHFFFAOYSA-N
MW374.05 g/mol
LogP4.04
Rot. Bonds4

About N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-bromo-3-pyridinyl)methanamine

N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-bromo-3-pyridinyl)methanamine (PubChem CID 113454135) has the molecular formula C13H11Br2FN2 and a molecular weight of 374.05 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-bromo-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-1-(5-bromo-3-pyridinyl)methanamine
PubChem CID113454135
Molecular FormulaC13H11Br2FN2
Molecular Weight374.05 g/mol
Exact Mass371.93
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-1-(5-bromo-3-pyridinyl)methanamine
SMILESFc1ccc(Br)c(CNCc2cncc(Br)c2)c1
InChIInChI=1S/C13H11Br2FN2/c14-11-3-9(6-18-8-11)5-17-7-10-4-12(16)1-2-13(10)15/h1-4,6,8,17H,5,7H2
InChIKeyNPYVVGBCNHBSRF-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.05
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-fluorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]methanamine
CID 79710689
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)methanamine
CID 115767644
N-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine
CID 115745327
4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]benzene-1,2-diol
CID 54893715
N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 104796903
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971
1-(2-bromo-5-fluorophenyl)-N-[(1-ethenylpyrazol-4-yl)methyl]methanamine
CID 106936593
N-[(5-bromo-3-pyridinyl)methyl]-1-(3-chloro-4-fluorophenyl)methanamine
CID 113454158
N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-4-ylethanamine
CID 60902552
1-(2-bromo-5-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 54902511
N-[(2-bromo-5-fluorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 66398559
N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine
CID 61068734

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-bromo-3-pyridinyl)methanamine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-bromo-3-pyridinyl)methanamine (CID 113454135) is N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-bromo-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-bromo-3-pyridinyl)methanamine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-bromo-3-pyridinyl)methanamine is Fc1ccc(Br)c(CNCc2cncc(Br)c2)c1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-bromo-3-pyridinyl)methanamine?
The InChIKey is NPYVVGBCNHBSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2FN2/c14-11-3-9(6-18-8-11)5-17-7-10-4-12(16)1-2-13(10)15/h1-4,6,8,17H,5,7H2.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-bromo-3-pyridinyl)methanamine?
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-bromo-3-pyridinyl)methanamine has a molecular weight of 374.05 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-bromo-3-pyridinyl)methanamine is sourced from PubChem (CID 113454135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).