3-[(5-bromo-4-methyl-2-pyridinyl)amino]propane-1,2-diol

C9H13BrN2O2 — CID 86802622

IUPAC3-[(5-bromo-4-methyl-2-pyridinyl)amino]propane-1,2-diol
SMILESCc1cc(NCC(O)CO)ncc1Br
InChIInChI=1S/C9H13BrN2O2/c1-6-2-9(12-4-8(6)10)11-3-7(14)5-13/h2,4,7,13-14H,3,5H2,1H3,(H,11,12)
InChIKeyZUKDGURRQKQOFX-UHFFFAOYSA-N
MW261.12 g/mol
LogP0.92
Rot. Bonds4

About 3-[(5-bromo-4-methyl-2-pyridinyl)amino]propane-1,2-diol

3-[(5-bromo-4-methyl-2-pyridinyl)amino]propane-1,2-diol (PubChem CID 86802622) has the molecular formula C9H13BrN2O2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 3-[(5-bromo-4-methyl-2-pyridinyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(5-bromo-4-methyl-2-pyridinyl)amino]propane-1,2-diol
PubChem CID86802622
Molecular FormulaC9H13BrN2O2
Molecular Weight261.12 g/mol
Exact Mass260.02
IUPAC Name3-[(5-bromo-4-methyl-2-pyridinyl)amino]propane-1,2-diol
SMILESCc1cc(NCC(O)CO)ncc1Br
InChIInChI=1S/C9H13BrN2O2/c1-6-2-9(12-4-8(6)10)11-3-7(14)5-13/h2,4,7,13-14H,3,5H2,1H3,(H,11,12)
InChIKeyZUKDGURRQKQOFX-UHFFFAOYSA-N
XLogP0.92
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-2-ol
CID 114869387
1-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 114869545
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propan-1-ol
CID 53409461
1-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,2-diamine
CID 107159322
3-(2,4-dibromo-5-methylanilino)propane-1,2-diol
CID 168596416
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 103858145
3-(4-bromo-2,5-dimethylanilino)propane-1,2-diol
CID 168596082
(2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol
CID 70935022
3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
CID 115774135
5-bromo-4-methyl-N-(2-methylidenebutyl)pyridin-2-amine
CID 130655433
1-[(5-amino-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 79176154
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide
CID 114869367

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]propane-1,2-diol?
The IUPAC name of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]propane-1,2-diol (CID 86802622) is 3-[(5-bromo-4-methyl-2-pyridinyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(5-bromo-4-methyl-2-pyridinyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(5-bromo-4-methyl-2-pyridinyl)amino]propane-1,2-diol is Cc1cc(NCC(O)CO)ncc1Br.
What is the InChIKey of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]propane-1,2-diol?
The InChIKey is ZUKDGURRQKQOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2/c1-6-2-9(12-4-8(6)10)11-3-7(14)5-13/h2,4,7,13-14H,3,5H2,1H3,(H,11,12).
What are the key properties of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]propane-1,2-diol?
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propane-1,2-diol has a molecular weight of 261.12 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-4-methyl-2-pyridinyl)amino]propane-1,2-diol is sourced from PubChem (CID 86802622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).