3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine

C9H10BrClN2 — CID 105367125

IUPAC3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine
SMILESC=C(Cl)CNc1ncc(C)cc1Br
InChIInChI=1S/C9H10BrClN2/c1-6-3-8(10)9(12-4-6)13-5-7(2)11/h3-4H,2,5H2,1H3,(H,12,13)
InChIKeyDMBILEXUGJGUAD-UHFFFAOYSA-N
MW261.55 g/mol
LogP3.32
Rot. Bonds3

About 3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine

3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine (PubChem CID 105367125) has the molecular formula C9H10BrClN2 and a molecular weight of 261.55 g/mol. Its IUPAC name is 3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine
PubChem CID105367125
Molecular FormulaC9H10BrClN2
Molecular Weight261.55 g/mol
Exact Mass259.97
IUPAC Name3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine
SMILESC=C(Cl)CNc1ncc(C)cc1Br
InChIInChI=1S/C9H10BrClN2/c1-6-3-8(10)9(12-4-6)13-5-7(2)11/h3-4H,2,5H2,1H3,(H,12,13)
InChIKeyDMBILEXUGJGUAD-UHFFFAOYSA-N
XLogP3.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.55
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-(2-bromoprop-2-enyl)-5-methylpyridin-2-amine
CID 105367126
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide
CID 105367068
3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine
CID 105368698
2-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 105366900
3-bromo-N-butyl-5-methylpyridin-2-amine
CID 82477943
3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine
CID 103462640
1-[(3-bromo-5-methyl-2-pyridinyl)amino]-3-methylbutan-2-ol
CID 105367163
4-[(3-bromo-5-methyl-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106144830
1-N-(3-bromo-5-methyl-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 130505489
1-[[(3-bromo-5-methyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 105366996
5-bromo-N-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796361
N-(2-chloroprop-2-enyl)-3,6-dimethylpyrazin-2-amine
CID 104695502

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine (CID 105367125) is 3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine is C=C(Cl)CNc1ncc(C)cc1Br.
What is the InChIKey of 3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine?
The InChIKey is DMBILEXUGJGUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2/c1-6-3-8(10)9(12-4-6)13-5-7(2)11/h3-4H,2,5H2,1H3,(H,12,13).
What are the key properties of 3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine?
3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine has a molecular weight of 261.55 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine is sourced from PubChem (CID 105367125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).