5-bromo-N-(2-bromoethyl)-3-chloro-N-propan-2-ylpyridin-2-amine

C10H13Br2ClN2 — CID 103584128

IUPAC5-bromo-N-(2-bromoethyl)-3-chloro-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(CCBr)c1ncc(Br)cc1Cl
InChIInChI=1S/C10H13Br2ClN2/c1-7(2)15(4-3-11)10-9(13)5-8(12)6-14-10/h5-7H,3-4H2,1-2H3
InChIKeyPOCWEAWXAWHVGL-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.11
Rot. Bonds4

About 5-bromo-N-(2-bromoethyl)-3-chloro-N-propan-2-ylpyridin-2-amine

5-bromo-N-(2-bromoethyl)-3-chloro-N-propan-2-ylpyridin-2-amine (PubChem CID 103584128) has the molecular formula C10H13Br2ClN2 and a molecular weight of 356.49 g/mol. Its IUPAC name is 5-bromo-N-(2-bromoethyl)-3-chloro-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-bromoethyl)-3-chloro-N-propan-2-ylpyridin-2-amine
PubChem CID103584128
Molecular FormulaC10H13Br2ClN2
Molecular Weight356.49 g/mol
Exact Mass353.91
IUPAC Name5-bromo-N-(2-bromoethyl)-3-chloro-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(CCBr)c1ncc(Br)cc1Cl
InChIInChI=1S/C10H13Br2ClN2/c1-7(2)15(4-3-11)10-9(13)5-8(12)6-14-10/h5-7H,3-4H2,1-2H3
InChIKeyPOCWEAWXAWHVGL-UHFFFAOYSA-N
XLogP4.11
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-bromo-3-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 103582964
N-(2-bromoethyl)-3-chloro-N-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine
CID 80670303
5-bromo-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylpyridin-2-amine
CID 103583262
N-(2-bromoethyl)-3-chloro-N-propan-2-ylpyridin-2-amine
CID 80670684
7-bromo-N-(2-bromoethyl)-N-propan-2-yl-1,5-naphthyridin-4-amine
CID 113394590
N-[2-[(5-bromo-3-chloro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 103583744
5-bromo-3-chloro-N-methyl-N-phenylpyridin-2-amine
CID 103583115
5-bromo-3-(chloromethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine
CID 63446077
5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine
CID 103583405
3-bromo-N-(3-bromopropyl)-5-methyl-N-propan-2-ylpyridin-2-amine
CID 105368755
N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridin-2-amine
CID 80670472
5-bromo-3-chloro-N-cyclobutyl-N-methylpyridin-2-amine
CID 103580299

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromoethyl)-3-chloro-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-bromoethyl)-3-chloro-N-propan-2-ylpyridin-2-amine (CID 103584128) is 5-bromo-N-(2-bromoethyl)-3-chloro-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-bromoethyl)-3-chloro-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-bromoethyl)-3-chloro-N-propan-2-ylpyridin-2-amine is CC(C)N(CCBr)c1ncc(Br)cc1Cl.
What is the InChIKey of 5-bromo-N-(2-bromoethyl)-3-chloro-N-propan-2-ylpyridin-2-amine?
The InChIKey is POCWEAWXAWHVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2ClN2/c1-7(2)15(4-3-11)10-9(13)5-8(12)6-14-10/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-bromo-N-(2-bromoethyl)-3-chloro-N-propan-2-ylpyridin-2-amine?
5-bromo-N-(2-bromoethyl)-3-chloro-N-propan-2-ylpyridin-2-amine has a molecular weight of 356.49 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromoethyl)-3-chloro-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 103584128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).