N'-(3-bromo-4-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine

C10H16BrN3O — CID 104777631

IUPACN'-(3-bromo-4-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCNCCNc1ccncc1Br
InChIInChI=1S/C10H16BrN3O/c1-15-7-6-12-4-5-14-10-2-3-13-8-9(10)11/h2-3,8,12H,4-7H2,1H3,(H,13,14)
InChIKeySRRMLQCPEQJGMJ-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.49
Rot. Bonds7

About N'-(3-bromo-4-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine

N'-(3-bromo-4-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 104777631) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is N'-(3-bromo-4-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-bromo-4-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID104777631
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC NameN'-(3-bromo-4-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCNCCNc1ccncc1Br
InChIInChI=1S/C10H16BrN3O/c1-15-7-6-12-4-5-14-10-2-3-13-8-9(10)11/h2-3,8,12H,4-7H2,1H3,(H,13,14)
InChIKeySRRMLQCPEQJGMJ-UHFFFAOYSA-N
XLogP1.49
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-bromo-4-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 104777242
3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile
CID 83030587
N'-(3-bromo-4-pyridinyl)propane-1,3-diamine
CID 104776647
N'-(3-bromo-4-pyridinyl)butane-1,4-diamine
CID 104776649
N-[2-[(3-bromo-4-pyridinyl)amino]ethyl]methanesulfonamide
CID 104776803
3-[(3-bromo-4-pyridinyl)amino]propan-1-ol
CID 104776769
N-[3-(2-aminoethoxy)propyl]-3-bromopyridin-4-amine
CID 106308448
N'-(2-bromo-4-nitrophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 83030287
3-bromo-N-[(1-methoxycyclobutyl)methyl]pyridin-4-amine
CID 104925280
N-(2-methoxyethyl)-3-pyridin-4-ylpropan-1-amine
CID 62549187
N'-(3-bromo-5-chloro-2-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 114836386
3-bromo-N-(3-phenylpropyl)pyridin-4-amine
CID 104776830

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-4-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-bromo-4-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine (CID 104777631) is N'-(3-bromo-4-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-bromo-4-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-bromo-4-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine is COCCNCCNc1ccncc1Br.
What is the InChIKey of N'-(3-bromo-4-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is SRRMLQCPEQJGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-15-7-6-12-4-5-14-10-2-3-13-8-9(10)11/h2-3,8,12H,4-7H2,1H3,(H,13,14).
What are the key properties of N'-(3-bromo-4-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
N'-(3-bromo-4-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 274.16 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-4-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 104777631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).