N'-(5-bromo-3-chloro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine

C11H15BrClN3 — CID 103582726

IUPACN'-(5-bromo-3-chloro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
SMILESClc1cc(Br)cnc1NCCCNC1CC1
InChIInChI=1S/C11H15BrClN3/c12-8-6-10(13)11(16-7-8)15-5-1-4-14-9-2-3-9/h6-7,9,14H,1-5H2,(H,15,16)
InChIKeyBGRJAPVSNLUOQE-UHFFFAOYSA-N
MW304.62 g/mol
LogP3.05
Rot. Bonds6

About N'-(5-bromo-3-chloro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine

N'-(5-bromo-3-chloro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine (PubChem CID 103582726) has the molecular formula C11H15BrClN3 and a molecular weight of 304.62 g/mol. Its IUPAC name is N'-(5-bromo-3-chloro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-bromo-3-chloro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
PubChem CID103582726
Molecular FormulaC11H15BrClN3
Molecular Weight304.62 g/mol
Exact Mass303.01
IUPAC NameN'-(5-bromo-3-chloro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
SMILESClc1cc(Br)cnc1NCCCNC1CC1
InChIInChI=1S/C11H15BrClN3/c12-8-6-10(13)11(16-7-8)15-5-1-4-14-9-2-3-9/h6-7,9,14H,1-5H2,(H,15,16)
InChIKeyBGRJAPVSNLUOQE-UHFFFAOYSA-N
XLogP3.05
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-bromo-5-methyl-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
CID 105367269
5-bromo-3-chloro-N-propylpyridin-2-amine
CID 82480708
N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 103582280
5-bromo-3-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 103582512
N-cycloheptyl-N'-(3,5-dichloro-2-pyridinyl)ethane-1,2-diamine
CID 115306764
N'-(3-bromo-5-nitro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
CID 79534716
5-bromo-3-chloro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 103582744
N-[2-(azepan-1-yl)ethyl]-5-bromo-3-chloropyridin-2-amine
CID 103582430
5-bromo-3-chloro-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine
CID 103582514
5-bromo-3-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine
CID 103584118
1-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethyl]pyrrolidine-2,5-dione
CID 122147044
N'-(3-bromo-4-methyl-5-nitro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
CID 104508181

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-3-chloro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine?
The IUPAC name of N'-(5-bromo-3-chloro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine (CID 103582726) is N'-(5-bromo-3-chloro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-bromo-3-chloro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine?
The canonical SMILES for N'-(5-bromo-3-chloro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine is Clc1cc(Br)cnc1NCCCNC1CC1.
What is the InChIKey of N'-(5-bromo-3-chloro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine?
The InChIKey is BGRJAPVSNLUOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN3/c12-8-6-10(13)11(16-7-8)15-5-1-4-14-9-2-3-9/h6-7,9,14H,1-5H2,(H,15,16).
What are the key properties of N'-(5-bromo-3-chloro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine?
N'-(5-bromo-3-chloro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine has a molecular weight of 304.62 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-3-chloro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine is sourced from PubChem (CID 103582726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).