3-bromo-N-(2-chloro-2-cyclopropylethyl)-5-methylpyridin-2-amine

C11H14BrClN2 — CID 105368724

IUPAC3-bromo-N-(2-chloro-2-cyclopropylethyl)-5-methylpyridin-2-amine
SMILESCc1cnc(NCC(Cl)C2CC2)c(Br)c1
InChIInChI=1S/C11H14BrClN2/c1-7-4-9(12)11(14-5-7)15-6-10(13)8-2-3-8/h4-5,8,10H,2-3,6H2,1H3,(H,14,15)
InChIKeyRYUGKUZCSOUATO-UHFFFAOYSA-N
MW289.60 g/mol
LogP3.58
Rot. Bonds4

About 3-bromo-N-(2-chloro-2-cyclopropylethyl)-5-methylpyridin-2-amine

3-bromo-N-(2-chloro-2-cyclopropylethyl)-5-methylpyridin-2-amine (PubChem CID 105368724) has the molecular formula C11H14BrClN2 and a molecular weight of 289.60 g/mol. Its IUPAC name is 3-bromo-N-(2-chloro-2-cyclopropylethyl)-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(2-chloro-2-cyclopropylethyl)-5-methylpyridin-2-amine
PubChem CID105368724
Molecular FormulaC11H14BrClN2
Molecular Weight289.60 g/mol
Exact Mass288.00
IUPAC Name3-bromo-N-(2-chloro-2-cyclopropylethyl)-5-methylpyridin-2-amine
SMILESCc1cnc(NCC(Cl)C2CC2)c(Br)c1
InChIInChI=1S/C11H14BrClN2/c1-7-4-9(12)11(14-5-7)15-6-10(13)8-2-3-8/h4-5,8,10H,2-3,6H2,1H3,(H,14,15)
InChIKeyRYUGKUZCSOUATO-UHFFFAOYSA-N
XLogP3.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 53.58
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

1-N-(3-bromo-5-methyl-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 130505489
3-bromo-5-methyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 105366766
1-[(3-bromo-5-methyl-2-pyridinyl)amino]-3-methylbutan-2-ol
CID 105367163
3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine
CID 105366700
3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine
CID 105368698
N'-(3-bromo-5-methyl-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
CID 105367269
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-phenylethanol
CID 105366704
3-bromo-N-cyclobutyl-5-methylpyridin-2-amine
CID 105366896
3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine
CID 105367125
1-[[(3-bromo-5-methyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 105366996
3-bromo-N-(1-cyclohexylethyl)-5-methylpyridin-2-amine
CID 105366898
3-bromo-5-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 105366780

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chloro-2-cyclopropylethyl)-5-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(2-chloro-2-cyclopropylethyl)-5-methylpyridin-2-amine (CID 105368724) is 3-bromo-N-(2-chloro-2-cyclopropylethyl)-5-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(2-chloro-2-cyclopropylethyl)-5-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(2-chloro-2-cyclopropylethyl)-5-methylpyridin-2-amine is Cc1cnc(NCC(Cl)C2CC2)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2-chloro-2-cyclopropylethyl)-5-methylpyridin-2-amine?
The InChIKey is RYUGKUZCSOUATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2/c1-7-4-9(12)11(14-5-7)15-6-10(13)8-2-3-8/h4-5,8,10H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 3-bromo-N-(2-chloro-2-cyclopropylethyl)-5-methylpyridin-2-amine?
3-bromo-N-(2-chloro-2-cyclopropylethyl)-5-methylpyridin-2-amine has a molecular weight of 289.60 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-chloro-2-cyclopropylethyl)-5-methylpyridin-2-amine is sourced from PubChem (CID 105368724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).