3-bromo-N-(4-chlorobutyl)pyridin-2-amine

C9H12BrClN2 — CID 86240809

IUPAC3-bromo-N-(4-chlorobutyl)pyridin-2-amine
SMILESClCCCCNc1ncccc1Br
InChIInChI=1S/C9H12BrClN2/c10-8-4-3-7-13-9(8)12-6-2-1-5-11/h3-4,7H,1-2,5-6H2,(H,12,13)
InChIKeyXBBZJDCOGZHILE-UHFFFAOYSA-N
MW263.57 g/mol
LogP3.28
Rot. Bonds5

About 3-bromo-N-(4-chlorobutyl)pyridin-2-amine

3-bromo-N-(4-chlorobutyl)pyridin-2-amine (PubChem CID 86240809) has the molecular formula C9H12BrClN2 and a molecular weight of 263.57 g/mol. Its IUPAC name is 3-bromo-N-(4-chlorobutyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(4-chlorobutyl)pyridin-2-amine
PubChem CID86240809
Molecular FormulaC9H12BrClN2
Molecular Weight263.57 g/mol
Exact Mass261.99
IUPAC Name3-bromo-N-(4-chlorobutyl)pyridin-2-amine
SMILESClCCCCNc1ncccc1Br
InChIInChI=1S/C9H12BrClN2/c10-8-4-3-7-13-9(8)12-6-2-1-5-11/h3-4,7H,1-2,5-6H2,(H,12,13)
InChIKeyXBBZJDCOGZHILE-UHFFFAOYSA-N
XLogP3.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.57
LogP ≤ 53.28
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-(3-chloropropyl)pyridin-2-amine
CID 65029830
N'-(3-bromo-2-pyridinyl)hexane-1,6-diamine
CID 107845203
2-[(3-bromo-2-pyridinyl)amino]ethanol
CID 61374645
5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol
CID 106128835
3-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 65030223
3-bromo-N-(4-chloro-2,2-dimethylbutyl)pyridin-2-amine
CID 106141347
N-(6-chlorohexyl)-3-ethoxypyridin-2-amine
CID 107846423
N'-(3-bromo-2-pyridinyl)-N-cyclopropylethane-1,2-diamine
CID 62664309
N-[2-[(3-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 61373352
3-bromo-N-(2-phenylsulfanylethyl)pyridin-2-amine
CID 61375421
3-bromo-N-(3-chloro-4-methoxybutyl)pyridin-2-amine
CID 106242892
N-benzyl-3-bromopyridin-2-amine
CID 11708714

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-chlorobutyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-(4-chlorobutyl)pyridin-2-amine (CID 86240809) is 3-bromo-N-(4-chlorobutyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(4-chlorobutyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-(4-chlorobutyl)pyridin-2-amine is ClCCCCNc1ncccc1Br.
What is the InChIKey of 3-bromo-N-(4-chlorobutyl)pyridin-2-amine?
The InChIKey is XBBZJDCOGZHILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrClN2/c10-8-4-3-7-13-9(8)12-6-2-1-5-11/h3-4,7H,1-2,5-6H2,(H,12,13).
What are the key properties of 3-bromo-N-(4-chlorobutyl)pyridin-2-amine?
3-bromo-N-(4-chlorobutyl)pyridin-2-amine has a molecular weight of 263.57 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-chlorobutyl)pyridin-2-amine is sourced from PubChem (CID 86240809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).