2-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethoxy]ethanol

C10H15BrN2O2 — CID 105366900

IUPAC2-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethoxy]ethanol
SMILESCc1cnc(NCCOCCO)c(Br)c1
InChIInChI=1S/C10H15BrN2O2/c1-8-6-9(11)10(13-7-8)12-2-4-15-5-3-14/h6-7,14H,2-5H2,1H3,(H,12,13)
InChIKeyGZWVJPXTJIEFAY-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.57
Rot. Bonds6

About 2-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethoxy]ethanol

2-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethoxy]ethanol (PubChem CID 105366900) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 2-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethoxy]ethanol
PubChem CID105366900
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name2-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethoxy]ethanol
SMILESCc1cnc(NCCOCCO)c(Br)c1
InChIInChI=1S/C10H15BrN2O2/c1-8-6-9(11)10(13-7-8)12-2-4-15-5-3-14/h6-7,14H,2-5H2,1H3,(H,12,13)
InChIKeyGZWVJPXTJIEFAY-UHFFFAOYSA-N
XLogP1.57
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.57
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

2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl carbamate
CID 105367093
N-[3-(2-aminoethoxy)propyl]-3-bromo-5-methylpyridin-2-amine
CID 106308374
3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine
CID 105366850
2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 104506759
3-bromo-N-butyl-5-methylpyridin-2-amine
CID 82477943
3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine
CID 105368698
3-bromo-N-(2-bromoprop-2-enyl)-5-methylpyridin-2-amine
CID 105367126
4-[(3-bromo-5-methyl-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106144830
3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine
CID 105367125
N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]propyl]methanesulfonamide
CID 102677386
3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine
CID 103462640
2-[2-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol
CID 80825941

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethoxy]ethanol (CID 105366900) is 2-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethoxy]ethanol is Cc1cnc(NCCOCCO)c(Br)c1.
What is the InChIKey of 2-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethoxy]ethanol?
The InChIKey is GZWVJPXTJIEFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-8-6-9(11)10(13-7-8)12-2-4-15-5-3-14/h6-7,14H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethoxy]ethanol?
2-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethoxy]ethanol has a molecular weight of 275.15 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethoxy]ethanol is sourced from PubChem (CID 105366900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).