5-bromo-3-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine

C12H15BrCl2N2 — CID 103584118

IUPAC5-bromo-3-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine
SMILESClCC1CCCC1CNc1ncc(Br)cc1Cl
InChIInChI=1S/C12H15BrCl2N2/c13-10-4-11(15)12(17-7-10)16-6-9-3-1-2-8(9)5-14/h4,7-9H,1-3,5-6H2,(H,16,17)
InChIKeyCTEAYWHHMCGHDL-UHFFFAOYSA-N
MW338.08 g/mol
LogP4.56
Rot. Bonds4

About 5-bromo-3-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine

5-bromo-3-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine (PubChem CID 103584118) has the molecular formula C12H15BrCl2N2 and a molecular weight of 338.08 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine
PubChem CID103584118
Molecular FormulaC12H15BrCl2N2
Molecular Weight338.08 g/mol
Exact Mass335.98
IUPAC Name5-bromo-3-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine
SMILESClCC1CCCC1CNc1ncc(Br)cc1Cl
InChIInChI=1S/C12H15BrCl2N2/c13-10-4-11(15)12(17-7-10)16-6-9-3-1-2-8(9)5-14/h4,7-9H,1-3,5-6H2,(H,16,17)
InChIKeyCTEAYWHHMCGHDL-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.08
LogP ≤ 54.56
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

5-bromo-3-chloro-N-[2-(chloromethyl)cyclopentyl]pyridin-2-amine
CID 106365408
5-bromo-3-chloro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 103582744
5-bromo-3-chloro-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine
CID 103582514
5-bromo-3-chloro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 103580137
N-[[2-(chloromethyl)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine
CID 112676581
N-[[2-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-fluoropyridin-2-amine
CID 114047966
N'-(5-bromo-3-chloro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
CID 103582726
2-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 79718302
N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 103582280
5-bromo-3-chloro-N-propylpyridin-2-amine
CID 82480708
5-bromo-3-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridin-2-amine
CID 103582598
N-[[2-(chloromethyl)cyclopentyl]methyl]-5-iodopyrimidin-4-amine
CID 66318483

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine (CID 103584118) is 5-bromo-3-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine is ClCC1CCCC1CNc1ncc(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine?
The InChIKey is CTEAYWHHMCGHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrCl2N2/c13-10-4-11(15)12(17-7-10)16-6-9-3-1-2-8(9)5-14/h4,7-9H,1-3,5-6H2,(H,16,17).
What are the key properties of 5-bromo-3-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine?
5-bromo-3-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine has a molecular weight of 338.08 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine is sourced from PubChem (CID 103584118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).