3-bromo-N-[1-(chloromethyl)cyclopentyl]-4-methylpyridin-2-amine

C12H16BrClN2 — CID 106878934

IUPAC3-bromo-N-[1-(chloromethyl)cyclopentyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(NC2(CCl)CCCC2)c1Br
InChIInChI=1S/C12H16BrClN2/c1-9-4-7-15-11(10(9)13)16-12(8-14)5-2-3-6-12/h4,7H,2-3,5-6,8H2,1H3,(H,15,16)
InChIKeyNWSXEJVTXVJUTH-UHFFFAOYSA-N
MW303.63 g/mol
LogP4.12
Rot. Bonds3

About 3-bromo-N-[1-(chloromethyl)cyclopentyl]-4-methylpyridin-2-amine

3-bromo-N-[1-(chloromethyl)cyclopentyl]-4-methylpyridin-2-amine (PubChem CID 106878934) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 3-bromo-N-[1-(chloromethyl)cyclopentyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[1-(chloromethyl)cyclopentyl]-4-methylpyridin-2-amine
PubChem CID106878934
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name3-bromo-N-[1-(chloromethyl)cyclopentyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(NC2(CCl)CCCC2)c1Br
InChIInChI=1S/C12H16BrClN2/c1-9-4-7-15-11(10(9)13)16-12(8-14)5-2-3-6-12/h4,7H,2-3,5-6,8H2,1H3,(H,15,16)
InChIKeyNWSXEJVTXVJUTH-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
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-[1-(chloromethyl)cyclopentyl]-3-methylpyridin-2-amine
CID 65029490
3-bromo-4-methyl-N-(1-methylcyclobutyl)pyridin-2-amine
CID 106875940
N-[1-(chloromethyl)cyclohexyl]-5-methoxyisoquinolin-1-amine
CID 106542747
3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine
CID 106878907
3-bromo-4-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine
CID 114117198
3-bromo-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridin-2-amine
CID 106875830
N-[1-(chloromethyl)-3-methylcyclohexyl]-3-methylpyridin-2-amine
CID 65028763
5-bromo-N-[1-(chloromethyl)cyclobutyl]-4-methylpyridin-2-amine
CID 114870025
N-[1-(chloromethyl)cyclopentyl]-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106542717
3-bromo-N-cyclopropyl-4-methylpyridin-2-amine
CID 97181175
3-[[1-(chloromethyl)cyclohexyl]amino]-1-ethylpyrazin-2-one
CID 65028801
3-bromo-N-[4-(chloromethyl)oxan-4-yl]pyridin-2-amine
CID 106300053

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(chloromethyl)cyclopentyl]-4-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-[1-(chloromethyl)cyclopentyl]-4-methylpyridin-2-amine (CID 106878934) is 3-bromo-N-[1-(chloromethyl)cyclopentyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[1-(chloromethyl)cyclopentyl]-4-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-[1-(chloromethyl)cyclopentyl]-4-methylpyridin-2-amine is Cc1ccnc(NC2(CCl)CCCC2)c1Br.
What is the InChIKey of 3-bromo-N-[1-(chloromethyl)cyclopentyl]-4-methylpyridin-2-amine?
The InChIKey is NWSXEJVTXVJUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c1-9-4-7-15-11(10(9)13)16-12(8-14)5-2-3-6-12/h4,7H,2-3,5-6,8H2,1H3,(H,15,16).
What are the key properties of 3-bromo-N-[1-(chloromethyl)cyclopentyl]-4-methylpyridin-2-amine?
3-bromo-N-[1-(chloromethyl)cyclopentyl]-4-methylpyridin-2-amine has a molecular weight of 303.63 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(chloromethyl)cyclopentyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 106878934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).