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

C7H9BrClN3 — CID 103582280

IUPACN'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine
SMILESNCCNc1ncc(Br)cc1Cl
InChIInChI=1S/C7H9BrClN3/c8-5-3-6(9)7(12-4-5)11-2-1-10/h3-4H,1-2,10H2,(H,11,12)
InChIKeyMQODDVPSHHGCBV-UHFFFAOYSA-N
MW250.53 g/mol
LogP1.87
Rot. Bonds3

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

N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 103582280) has the molecular formula C7H9BrClN3 and a molecular weight of 250.53 g/mol. Its IUPAC name is N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine
PubChem CID103582280
Molecular FormulaC7H9BrClN3
Molecular Weight250.53 g/mol
Exact Mass248.97
IUPAC NameN'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine
SMILESNCCNc1ncc(Br)cc1Cl
InChIInChI=1S/C7H9BrClN3/c8-5-3-6(9)7(12-4-5)11-2-1-10/h3-4H,1-2,10H2,(H,11,12)
InChIKeyMQODDVPSHHGCBV-UHFFFAOYSA-N
XLogP1.87
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.53
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-chloro-N-propylpyridin-2-amine
CID 82480708
N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine
CID 114835533
5-bromo-3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
CID 103582503
2-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethoxy]acetamide
CID 106239797
N'-(5-bromo-3-chloro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
CID 103582726
N-[2-(azepan-1-yl)ethyl]-5-bromo-3-chloropyridin-2-amine
CID 103582430
1-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethyl]pyrrolidine-2,5-dione
CID 122147044
5-bromo-3-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 103582512
1-N-(5-bromo-3-chloro-2-pyridinyl)-2-ethylbutane-1,2-diamine
CID 103582865
N-[(4-aminophenyl)methyl]-5-bromo-3-chloropyridin-2-amine
CID 103582888
N-[2-(3-aminophenoxy)ethyl]-5-bromo-3-chloropyridin-2-amine
CID 103582766
N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine
CID 14397361

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine (CID 103582280) is N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine is NCCNc1ncc(Br)cc1Cl.
What is the InChIKey of N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is MQODDVPSHHGCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrClN3/c8-5-3-6(9)7(12-4-5)11-2-1-10/h3-4H,1-2,10H2,(H,11,12).
What are the key properties of N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine?
N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 250.53 g/mol, XLogP of 1.87, 3 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)ethane-1,2-diamine is sourced from PubChem (CID 103582280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).