5-bromo-N-[2-(chloromethyl)cyclopentyl]-6-methylpyridin-2-amine

C12H16BrClN2 — CID 106365396

IUPAC5-bromo-N-[2-(chloromethyl)cyclopentyl]-6-methylpyridin-2-amine
SMILESCc1nc(NC2CCCC2CCl)ccc1Br
InChIInChI=1S/C12H16BrClN2/c1-8-10(13)5-6-12(15-8)16-11-4-2-3-9(11)7-14/h5-6,9,11H,2-4,7H2,1H3,(H,15,16)
InChIKeyUTOJVXVFVGBYED-UHFFFAOYSA-N
MW303.63 g/mol
LogP3.97
Rot. Bonds3

About 5-bromo-N-[2-(chloromethyl)cyclopentyl]-6-methylpyridin-2-amine

5-bromo-N-[2-(chloromethyl)cyclopentyl]-6-methylpyridin-2-amine (PubChem CID 106365396) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 5-bromo-N-[2-(chloromethyl)cyclopentyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(chloromethyl)cyclopentyl]-6-methylpyridin-2-amine
PubChem CID106365396
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name5-bromo-N-[2-(chloromethyl)cyclopentyl]-6-methylpyridin-2-amine
SMILESCc1nc(NC2CCCC2CCl)ccc1Br
InChIInChI=1S/C12H16BrClN2/c1-8-10(13)5-6-12(15-8)16-11-4-2-3-9(11)7-14/h5-6,9,11H,2-4,7H2,1H3,(H,15,16)
InChIKeyUTOJVXVFVGBYED-UHFFFAOYSA-N
XLogP3.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 53.97
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-[2-(chloromethyl)cyclopentyl]-5,6-dimethylpyrazin-2-amine
CID 106365406
1-N-(5-bromo-6-methyl-2-pyridinyl)cycloheptane-1,2-diamine
CID 114046704
N-[2-(chloromethyl)cyclopentyl]-2-methylpyrimidin-4-amine
CID 106365424
trans-(1R,2R)-2-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclobutan-1-ol
CID 130736526
N-[2-(chloromethyl)cyclopentyl]-6-ethoxypyridin-2-amine
CID 106365414
(3S,4R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]oxolan-3-ol
CID 128565486
N-[2-(chloromethyl)cyclopentyl]-5-methylpyrimidin-2-amine
CID 106365543
4-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclohexan-1-ol
CID 103915060
N-[2-(chloromethyl)cyclohexyl]-5-methylpyrimidin-2-amine
CID 106365718
2-bromo-N-[2-(chloromethyl)cyclopentyl]-5-iodobenzamide
CID 106366054
N-[2-(aminomethyl)cyclopentyl]-5-bromo-4-methylpyridin-2-amine
CID 114869559
N-(2-ethylcyclopentyl)-6-fluoropyridin-2-amine
CID 115692088

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(chloromethyl)cyclopentyl]-6-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-(chloromethyl)cyclopentyl]-6-methylpyridin-2-amine (CID 106365396) is 5-bromo-N-[2-(chloromethyl)cyclopentyl]-6-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(chloromethyl)cyclopentyl]-6-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(chloromethyl)cyclopentyl]-6-methylpyridin-2-amine is Cc1nc(NC2CCCC2CCl)ccc1Br.
What is the InChIKey of 5-bromo-N-[2-(chloromethyl)cyclopentyl]-6-methylpyridin-2-amine?
The InChIKey is UTOJVXVFVGBYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c1-8-10(13)5-6-12(15-8)16-11-4-2-3-9(11)7-14/h5-6,9,11H,2-4,7H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-[2-(chloromethyl)cyclopentyl]-6-methylpyridin-2-amine?
5-bromo-N-[2-(chloromethyl)cyclopentyl]-6-methylpyridin-2-amine has a molecular weight of 303.63 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(chloromethyl)cyclopentyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 106365396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).