3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine

C9H12BrClN2 — CID 105368698

IUPAC3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine
SMILESCc1cnc(NCCCCl)c(Br)c1
InChIInChI=1S/C9H12BrClN2/c1-7-5-8(10)9(13-6-7)12-4-2-3-11/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyLQMMWBDAHGFABD-UHFFFAOYSA-N
MW263.57 g/mol
LogP3.19
Rot. Bonds4

About 3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine

3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine (PubChem CID 105368698) has the molecular formula C9H12BrClN2 and a molecular weight of 263.57 g/mol. Its IUPAC name is 3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine
PubChem CID105368698
Molecular FormulaC9H12BrClN2
Molecular Weight263.57 g/mol
Exact Mass261.99
IUPAC Name3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine
SMILESCc1cnc(NCCCCl)c(Br)c1
InChIInChI=1S/C9H12BrClN2/c1-7-5-8(10)9(13-6-7)12-4-2-3-11/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyLQMMWBDAHGFABD-UHFFFAOYSA-N
XLogP3.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.57
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-butyl-5-methylpyridin-2-amine
CID 82477943
3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 114838460
N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]propyl]methanesulfonamide
CID 102677386
N'-(3-bromo-5-methyl-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
CID 105367269
N-[3-(2-aminoethoxy)propyl]-3-bromo-5-methylpyridin-2-amine
CID 106308374
3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine
CID 105367125
2-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 105366900
3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine
CID 103462640
3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine
CID 105366850
2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl carbamate
CID 105367093
3-bromo-N-(2-bromoprop-2-enyl)-5-methylpyridin-2-amine
CID 105367126
1-N-(3-bromo-5-methyl-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 130505489

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine (CID 105368698) is 3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine is Cc1cnc(NCCCCl)c(Br)c1.
What is the InChIKey of 3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine?
The InChIKey is LQMMWBDAHGFABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrClN2/c1-7-5-8(10)9(13-6-7)12-4-2-3-11/h5-6H,2-4H2,1H3,(H,12,13).
What are the key properties of 3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine?
3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine has a molecular weight of 263.57 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine is sourced from PubChem (CID 105368698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).