N-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine

C13H12BrFN2 — CID 112581892

IUPACN-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine
SMILESFc1cccc(CNCc2cccc(Br)n2)c1
InChIInChI=1S/C13H12BrFN2/c14-13-6-2-5-12(17-13)9-16-8-10-3-1-4-11(15)7-10/h1-7,16H,8-9H2
InChIKeyZKGZCIFXIGFFEK-UHFFFAOYSA-N
MW295.16 g/mol
LogP3.27
Rot. Bonds4

About N-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine

N-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine (PubChem CID 112581892) has the molecular formula C13H12BrFN2 and a molecular weight of 295.16 g/mol. Its IUPAC name is N-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine
PubChem CID112581892
Molecular FormulaC13H12BrFN2
Molecular Weight295.16 g/mol
Exact Mass294.02
IUPAC NameN-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine
SMILESFc1cccc(CNCc2cccc(Br)n2)c1
InChIInChI=1S/C13H12BrFN2/c14-13-6-2-5-12(17-13)9-16-8-10-3-1-4-11(15)7-10/h1-7,16H,8-9H2
InChIKeyZKGZCIFXIGFFEK-UHFFFAOYSA-N
XLogP3.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-[[(3-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904432
N-[(6-bromo-2-pyridinyl)methyl]-1-(4-chlorophenyl)methanamine
CID 112581883
4-[[(6-bromo-2-pyridinyl)methylamino]methyl]phenol
CID 115978503
N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 78981347
N-[(6-bromo-2-pyridinyl)methyl]-2-(4-fluoro-2-methylphenyl)ethanamine
CID 112582510
N-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 115767649
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 55122035
N-[(5-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 43114066
N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 43123260
N-[(6-bromo-2-pyridinyl)methyl]-4-fluoro-2-iodoaniline
CID 112582493
2-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 79267953
N-[[6-[(benzylamino)methyl]-2-pyridinyl]methyl]-1-phenylmethanamine
CID 11639693

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine?
The IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine (CID 112581892) is N-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine.
What is the SMILES notation for N-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine?
The canonical SMILES for N-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine is Fc1cccc(CNCc2cccc(Br)n2)c1.
What is the InChIKey of N-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine?
The InChIKey is ZKGZCIFXIGFFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2/c14-13-6-2-5-12(17-13)9-16-8-10-3-1-4-11(15)7-10/h1-7,16H,8-9H2.
What are the key properties of N-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine?
N-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine has a molecular weight of 295.16 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine is sourced from PubChem (CID 112581892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).