N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridin-2-amine

C10H14BrClN2 — CID 80670472

IUPACN-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(CCBr)c1ccc(Cl)cn1
InChIInChI=1S/C10H14BrClN2/c1-8(2)14(6-5-11)10-4-3-9(12)7-13-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeyJETTZLHEJFYOCB-UHFFFAOYSA-N
MW277.59 g/mol
LogP3.34
Rot. Bonds4

About N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridin-2-amine

N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridin-2-amine (PubChem CID 80670472) has the molecular formula C10H14BrClN2 and a molecular weight of 277.59 g/mol. Its IUPAC name is N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridin-2-amine
PubChem CID80670472
Molecular FormulaC10H14BrClN2
Molecular Weight277.59 g/mol
Exact Mass276.00
IUPAC NameN-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(CCBr)c1ccc(Cl)cn1
InChIInChI=1S/C10H14BrClN2/c1-8(2)14(6-5-11)10-4-3-9(12)7-13-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeyJETTZLHEJFYOCB-UHFFFAOYSA-N
XLogP3.34
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.59
LogP ≤ 53.34
H-Bond Donors ≤ 50
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 N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridin-2-amine?
The IUPAC name of N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridin-2-amine (CID 80670472) is N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridin-2-amine is CC(C)N(CCBr)c1ccc(Cl)cn1.
What is the InChIKey of N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridin-2-amine?
The InChIKey is JETTZLHEJFYOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2/c1-8(2)14(6-5-11)10-4-3-9(12)7-13-10/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridin-2-amine?
N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridin-2-amine has a molecular weight of 277.59 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 80670472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).