2-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-ethylpropane-1,3-diol

C11H17BrN2O2 — CID 107866243

IUPAC2-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1ncc(C)cc1Br
InChIInChI=1S/C11H17BrN2O2/c1-3-11(6-15,7-16)14-10-9(12)4-8(2)5-13-10/h4-5,15-16H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyNBTCZHYEEIHIJW-UHFFFAOYSA-N
MW289.17 g/mol
LogP1.70
Rot. Bonds5

About 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-ethylpropane-1,3-diol

2-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-ethylpropane-1,3-diol (PubChem CID 107866243) has the molecular formula C11H17BrN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
PubChem CID107866243
Molecular FormulaC11H17BrN2O2
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name2-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1ncc(C)cc1Br
InChIInChI=1S/C11H17BrN2O2/c1-3-11(6-15,7-16)14-10-9(12)4-8(2)5-13-10/h4-5,15-16H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyNBTCZHYEEIHIJW-UHFFFAOYSA-N
XLogP1.70
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-ethylpropane-1,3-diol (CID 107866243) is 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-ethylpropane-1,3-diol is CCC(CO)(CO)Nc1ncc(C)cc1Br.
What is the InChIKey of 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-ethylpropane-1,3-diol?
The InChIKey is NBTCZHYEEIHIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2/c1-3-11(6-15,7-16)14-10-9(12)4-8(2)5-13-10/h4-5,15-16H,3,6-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-ethylpropane-1,3-diol?
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-ethylpropane-1,3-diol has a molecular weight of 289.17 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 107866243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).