3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine

C8H9BrCl2N2 — CID 114838460

IUPAC3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine
SMILESClCCCNc1ncc(Cl)cc1Br
InChIInChI=1S/C8H9BrCl2N2/c9-7-4-6(11)5-13-8(7)12-3-1-2-10/h4-5H,1-3H2,(H,12,13)
InChIKeyFHFKNTUTIBYRMU-UHFFFAOYSA-N
MW283.98 g/mol
LogP3.54
Rot. Bonds4

About 3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine

3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine (PubChem CID 114838460) has the molecular formula C8H9BrCl2N2 and a molecular weight of 283.98 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine
PubChem CID114838460
Molecular FormulaC8H9BrCl2N2
Molecular Weight283.98 g/mol
Exact Mass281.93
IUPAC Name3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine
SMILESClCCCNc1ncc(Cl)cc1Br
InChIInChI=1S/C8H9BrCl2N2/c9-7-4-6(11)5-13-8(7)12-3-1-2-10/h4-5H,1-3H2,(H,12,13)
InChIKeyFHFKNTUTIBYRMU-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.98
LogP ≤ 53.54
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

N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine
CID 114835533
3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine
CID 105368698
3-bromo-5-chloro-N-(3-phenylpropyl)pyridin-2-amine
CID 114835697
3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114835594
3-bromo-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-amine
CID 114836170
N-(3-bromo-5-chloro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 114835871
3-bromo-5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridin-2-amine
CID 114838647
3-bromo-5-chloro-N-(3-chloro-2-methylpropyl)pyridin-2-amine
CID 114838511
3-bromo-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridin-2-amine
CID 114835604
N'-(3-bromo-5-chloro-2-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 114836386
methyl 3-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate
CID 114835706
3-bromo-5-chloro-N-(cyclopropylmethyl)pyridin-2-amine
CID 114835596

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine (CID 114838460) is 3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine is ClCCCNc1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine?
The InChIKey is FHFKNTUTIBYRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrCl2N2/c9-7-4-6(11)5-13-8(7)12-3-1-2-10/h4-5H,1-3H2,(H,12,13).
What are the key properties of 3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine?
3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine has a molecular weight of 283.98 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine is sourced from PubChem (CID 114838460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).