3-bromo-5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridin-2-amine

C11H13BrCl2N2 — CID 114838647

IUPAC3-bromo-5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridin-2-amine
SMILESClCCC1(CNc2ncc(Cl)cc2Br)CC1
InChIInChI=1S/C11H13BrCl2N2/c12-9-5-8(14)6-15-10(9)16-7-11(1-2-11)3-4-13/h5-6H,1-4,7H2,(H,15,16)
InChIKeyMLIMSTXFPRYXDO-UHFFFAOYSA-N
MW324.05 g/mol
LogP4.32
Rot. Bonds5

About 3-bromo-5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridin-2-amine

3-bromo-5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridin-2-amine (PubChem CID 114838647) has the molecular formula C11H13BrCl2N2 and a molecular weight of 324.05 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridin-2-amine
PubChem CID114838647
Molecular FormulaC11H13BrCl2N2
Molecular Weight324.05 g/mol
Exact Mass321.96
IUPAC Name3-bromo-5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridin-2-amine
SMILESClCCC1(CNc2ncc(Cl)cc2Br)CC1
InChIInChI=1S/C11H13BrCl2N2/c12-9-5-8(14)6-15-10(9)16-7-11(1-2-11)3-4-13/h5-6H,1-4,7H2,(H,15,16)
InChIKeyMLIMSTXFPRYXDO-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.05
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridin-2-amine (CID 114838647) is 3-bromo-5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridin-2-amine is ClCCC1(CNc2ncc(Cl)cc2Br)CC1.
What is the InChIKey of 3-bromo-5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridin-2-amine?
The InChIKey is MLIMSTXFPRYXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrCl2N2/c12-9-5-8(14)6-15-10(9)16-7-11(1-2-11)3-4-13/h5-6H,1-4,7H2,(H,15,16).
What are the key properties of 3-bromo-5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridin-2-amine?
3-bromo-5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridin-2-amine has a molecular weight of 324.05 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridin-2-amine is sourced from PubChem (CID 114838647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).