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

C10H15BrClN3O — CID 114836386

IUPACN'-(3-bromo-5-chloro-2-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCNCCNc1ncc(Cl)cc1Br
InChIInChI=1S/C10H15BrClN3O/c1-16-5-4-13-2-3-14-10-9(11)6-8(12)7-15-10/h6-7,13H,2-5H2,1H3,(H,14,15)
InChIKeySFSHOTZAFVMVMP-UHFFFAOYSA-N
MW308.61 g/mol
LogP2.15
Rot. Bonds7

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

N'-(3-bromo-5-chloro-2-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 114836386) has the molecular formula C10H15BrClN3O and a molecular weight of 308.61 g/mol. Its IUPAC name is N'-(3-bromo-5-chloro-2-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-bromo-5-chloro-2-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID114836386
Molecular FormulaC10H15BrClN3O
Molecular Weight308.61 g/mol
Exact Mass307.01
IUPAC NameN'-(3-bromo-5-chloro-2-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCNCCNc1ncc(Cl)cc1Br
InChIInChI=1S/C10H15BrClN3O/c1-16-5-4-13-2-3-14-10-9(11)6-8(12)7-15-10/h6-7,13H,2-5H2,1H3,(H,14,15)
InChIKeySFSHOTZAFVMVMP-UHFFFAOYSA-N
XLogP2.15
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.61
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(3-bromo-5-chloro-2-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine with MolForge

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Related Compounds

methyl 3-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate
CID 114835706
3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 114838460
N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine
CID 114835533
3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114835594
5-chloro-2-N-(2-methoxyethyl)pyridine-2,3-diamine
CID 79021487
N'-[(2-bromo-4-chlorophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 107987659
N-(3-bromo-5-chloro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 114835871
3-bromo-N-(2-but-3-enoxyethyl)-5-chloropyridin-2-amine
CID 107143640
methyl 5-bromo-6-(2-methoxyethylamino)pyridine-3-carboxylate
CID 68754647
N-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]-4-methylbenzamide
CID 114835711
3-bromo-5-chloro-N-(cyclopropylmethyl)pyridin-2-amine
CID 114835596
5-chloro-2-N-(3-methoxypropyl)pyridine-2,3-diamine
CID 79021479

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-5-chloro-2-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-bromo-5-chloro-2-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine (CID 114836386) is N'-(3-bromo-5-chloro-2-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-bromo-5-chloro-2-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-bromo-5-chloro-2-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine is COCCNCCNc1ncc(Cl)cc1Br.
What is the InChIKey of N'-(3-bromo-5-chloro-2-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is SFSHOTZAFVMVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrClN3O/c1-16-5-4-13-2-3-14-10-9(11)6-8(12)7-15-10/h6-7,13H,2-5H2,1H3,(H,14,15).
What are the key properties of N'-(3-bromo-5-chloro-2-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
N'-(3-bromo-5-chloro-2-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 308.61 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-5-chloro-2-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 114836386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).