N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine

C13H14BrN3 — CID 114698840

IUPACN-[(6-bromo-2-pyridinyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
SMILESCc1cnccc1CNCc1cccc(Br)n1
InChIInChI=1S/C13H14BrN3/c1-10-7-15-6-5-11(10)8-16-9-12-3-2-4-13(14)17-12/h2-7,16H,8-9H2,1H3
InChIKeyVOJRFPPSSVUOBH-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.84
Rot. Bonds4

About N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine

N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine (PubChem CID 114698840) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(6-bromo-2-pyridinyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
PubChem CID114698840
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC NameN-[(6-bromo-2-pyridinyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
SMILESCc1cnccc1CNCc1cccc(Br)n1
InChIInChI=1S/C13H14BrN3/c1-10-7-15-6-5-11(10)8-16-9-12-3-2-4-13(14)17-12/h2-7,16H,8-9H2,1H3
InChIKeyVOJRFPPSSVUOBH-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methyl-4-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 114699720
1-(6-bromo-2-pyridinyl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
CID 112582506
N-[(2,6-dichlorophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698965
N-[(4-bromothiophen-2-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698668
1-(3-methyl-4-pyridinyl)-N-[(1-phenylpyrazol-3-yl)methyl]methanamine
CID 114699258
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698588
1-(1-ethylpyrrol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114698750
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methyl-4-pyridinyl)methanamine
CID 114699338
1-(6-bromo-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 112582362
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365
N-[(6-bromo-2-pyridinyl)methyl]-2-(4-fluoro-2-methylphenyl)ethanamine
CID 112582510
2-ethoxy-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
CID 114698563

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine?
The IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine (CID 114698840) is N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine.
What is the SMILES notation for N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine?
The canonical SMILES for N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine is Cc1cnccc1CNCc1cccc(Br)n1.
What is the InChIKey of N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine?
The InChIKey is VOJRFPPSSVUOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-10-7-15-6-5-11(10)8-16-9-12-3-2-4-13(14)17-12/h2-7,16H,8-9H2,1H3.
What are the key properties of N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine?
N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine has a molecular weight of 292.18 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine is sourced from PubChem (CID 114698840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).