N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine

C9H12BrClN2 — CID 104811160

IUPACN-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine
SMILESCC(Cl)CNCc1ccc(Br)cn1
InChIInChI=1S/C9H12BrClN2/c1-7(11)4-12-6-9-3-2-8(10)5-13-9/h2-3,5,7,12H,4,6H2,1H3
InChIKeySBJDECVRKXAWTQ-UHFFFAOYSA-N
MW263.57 g/mol
LogP2.56
Rot. Bonds4

About N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine

N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine (PubChem CID 104811160) has the molecular formula C9H12BrClN2 and a molecular weight of 263.57 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine
PubChem CID104811160
Molecular FormulaC9H12BrClN2
Molecular Weight263.57 g/mol
Exact Mass261.99
IUPAC NameN-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine
SMILESCC(Cl)CNCc1ccc(Br)cn1
InChIInChI=1S/C9H12BrClN2/c1-7(11)4-12-6-9-3-2-8(10)5-13-9/h2-3,5,7,12H,4,6H2,1H3
InChIKeySBJDECVRKXAWTQ-UHFFFAOYSA-N
XLogP2.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.57
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115626597
3-(5-bromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 104810436
N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 104796281
1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735817
N-[(5-bromo-2-pyridinyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656244
6-[(5-bromo-2-pyridinyl)methylamino]-4-methylhexanoic acid
CID 104800428
5-bromo-2-(3-chloro-2-methylpropyl)pyridine
CID 104813254
1-(5-bromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275506
1-(5-bromo-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735445
4-(5-bromo-2-pyridinyl)-N-ethyl-2-methylbutan-1-amine
CID 104812047
5-bromo-N-[(5-bromo-2-pyridinyl)methyl]pentan-1-amine
CID 107320331
4-[(5-bromo-2-pyridinyl)methylamino]-1-methoxybutan-2-ol
CID 103876253

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine?
The IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine (CID 104811160) is N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine is CC(Cl)CNCc1ccc(Br)cn1.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine?
The InChIKey is SBJDECVRKXAWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrClN2/c1-7(11)4-12-6-9-3-2-8(10)5-13-9/h2-3,5,7,12H,4,6H2,1H3.
What are the key properties of N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine?
N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine has a molecular weight of 263.57 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine is sourced from PubChem (CID 104811160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).