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

C10H15BrN2O2 — CID 107866453

IUPAC2-[(5-bromo-3-pyridinyl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1cncc(Br)c1
InChIInChI=1S/C10H15BrN2O2/c1-2-10(6-14,7-15)13-9-3-8(11)4-12-5-9/h3-5,13-15H,2,6-7H2,1H3
InChIKeyDJQCDBCVYFWGFH-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.39
Rot. Bonds5

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

2-[(5-bromo-3-pyridinyl)amino]-2-ethylpropane-1,3-diol (PubChem CID 107866453) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)amino]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)amino]-2-ethylpropane-1,3-diol
PubChem CID107866453
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name2-[(5-bromo-3-pyridinyl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1cncc(Br)c1
InChIInChI=1S/C10H15BrN2O2/c1-2-10(6-14,7-15)13-9-3-8(11)4-12-5-9/h3-5,13-15H,2,6-7H2,1H3
InChIKeyDJQCDBCVYFWGFH-UHFFFAOYSA-N
XLogP1.39
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-methylbutan-2-yl)pyridin-3-amine
CID 104531470
2-[(5-bromo-3-pyridinyl)amino]-2-phenylpropan-1-ol
CID 105058658
2-[(5-bromo-3-pyridinyl)amino]ethanol
CID 91636071
5-bromo-N-pentan-3-ylpyridin-3-amine
CID 115620552
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 107866243
2-[(5-bromo-3-pyridinyl)methyl]-2-ethylbutan-1-ol
CID 104813142
2-ethyl-2-(pyrimidin-2-ylamino)propane-1,3-diol
CID 107866127
3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol
CID 115657175
2-bromo-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]benzonitrile
CID 107865829
2-ethyl-2-[(2-fluoro-4-pyridinyl)amino]propane-1,3-diol
CID 107866452
[1-[(5-bromo-3-pyridinyl)amino]cyclopentyl]methanol
CID 90272593
5-bromo-N-(3,3-dimethylbut-1-en-2-yl)pyridin-3-amine
CID 126561495

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)amino]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)amino]-2-ethylpropane-1,3-diol (CID 107866453) is 2-[(5-bromo-3-pyridinyl)amino]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)amino]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)amino]-2-ethylpropane-1,3-diol is CCC(CO)(CO)Nc1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)amino]-2-ethylpropane-1,3-diol?
The InChIKey is DJQCDBCVYFWGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-2-10(6-14,7-15)13-9-3-8(11)4-12-5-9/h3-5,13-15H,2,6-7H2,1H3.
What are the key properties of 2-[(5-bromo-3-pyridinyl)amino]-2-ethylpropane-1,3-diol?
2-[(5-bromo-3-pyridinyl)amino]-2-ethylpropane-1,3-diol has a molecular weight of 275.15 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)amino]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 107866453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).