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

C7H9BrClN3 — CID 114835533

IUPACN'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine
SMILESNCCNc1ncc(Cl)cc1Br
InChIInChI=1S/C7H9BrClN3/c8-6-3-5(9)4-12-7(6)11-2-1-10/h3-4H,1-2,10H2,(H,11,12)
InChIKeyMLEBPJUKJSTIPW-UHFFFAOYSA-N
MW250.53 g/mol
LogP1.87
Rot. Bonds3

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

N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 114835533) has the molecular formula C7H9BrClN3 and a molecular weight of 250.53 g/mol. Its IUPAC name is N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine
PubChem CID114835533
Molecular FormulaC7H9BrClN3
Molecular Weight250.53 g/mol
Exact Mass248.97
IUPAC NameN'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine
SMILESNCCNc1ncc(Cl)cc1Br
InChIInChI=1S/C7H9BrClN3/c8-6-3-5(9)4-12-7(6)11-2-1-10/h3-4H,1-2,10H2,(H,11,12)
InChIKeyMLEBPJUKJSTIPW-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

3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 114838460
3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114835594
N-(3-bromo-5-chloro-2-pyridinyl)-2,2-dimethylpentane-1,5-diamine
CID 106142695
N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 103582280
N-(3-bromo-5-chloro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 114835871
3-bromo-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridin-2-amine
CID 114835604
3-bromo-5-chloro-N-(3-phenylpropyl)pyridin-2-amine
CID 114835697
methyl 3-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate
CID 114835706
N'-(3-bromo-5-chloro-2-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 114836386
5-chloro-3-fluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130478073
4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 114835817
3-bromo-5-chloro-N-(cyclopropylmethyl)pyridin-2-amine
CID 114835596

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine (CID 114835533) is N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine is NCCNc1ncc(Cl)cc1Br.
What is the InChIKey of N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is MLEBPJUKJSTIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrClN3/c8-6-3-5(9)4-12-7(6)11-2-1-10/h3-4H,1-2,10H2,(H,11,12).
What are the key properties of N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine?
N'-(3-bromo-5-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'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 114835533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).