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

C10H15BrN2O2 — CID 79718907

IUPAC3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol
SMILESCc1cc(Br)cnc1NCC(C)(O)CO
InChIInChI=1S/C10H15BrN2O2/c1-7-3-8(11)4-12-9(7)13-5-10(2,15)6-14/h3-4,14-15H,5-6H2,1-2H3,(H,12,13)
InChIKeyZJWAUGTXPZQLPF-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.31
Rot. Bonds4

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

3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol (PubChem CID 79718907) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol
PubChem CID79718907
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol
SMILESCc1cc(Br)cnc1NCC(C)(O)CO
InChIInChI=1S/C10H15BrN2O2/c1-7-3-8(11)4-12-9(7)13-5-10(2,15)6-14/h3-4,14-15H,5-6H2,1-2H3,(H,12,13)
InChIKeyZJWAUGTXPZQLPF-UHFFFAOYSA-N
XLogP1.31
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylpropanoic acid
CID 167870567
1-N-(5-bromo-3-methyl-2-pyridinyl)-2-ethylbutane-1,2-diamine
CID 115306109
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
CID 106185086
3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol
CID 113394421
3-[(5-bromopyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 66341508
2-[(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79717961
5-bromo-3-methyl-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]pyridin-2-amine
CID 115148718
5-bromo-3-methyl-N-(2-methyl-2-pyridin-2-ylpropyl)pyridin-2-amine
CID 115148709
N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine
CID 14397364
[3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 79718432
1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106253455
N-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide
CID 81489506

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol (CID 79718907) is 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol is Cc1cc(Br)cnc1NCC(C)(O)CO.
What is the InChIKey of 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol?
The InChIKey is ZJWAUGTXPZQLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-7-3-8(11)4-12-9(7)13-5-10(2,15)6-14/h3-4,14-15H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol?
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol has a molecular weight of 275.15 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 79718907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).