3-amino-1-(2-methyl-4-pyridinyl)propane-1,2-diol

C9H14N2O2 — CID 170827559

IUPAC3-amino-1-(2-methyl-4-pyridinyl)propane-1,2-diol
SMILESCc1cc(C(O)C(O)CN)ccn1
InChIInChI=1S/C9H14N2O2/c1-6-4-7(2-3-11-6)9(13)8(12)5-10/h2-4,8-9,12-13H,5,10H2,1H3
InChIKeyGMLGUUKQLXLMLA-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.26
Rot. Bonds3

About 3-amino-1-(2-methyl-4-pyridinyl)propane-1,2-diol

3-amino-1-(2-methyl-4-pyridinyl)propane-1,2-diol (PubChem CID 170827559) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-amino-1-(2-methyl-4-pyridinyl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(2-methyl-4-pyridinyl)propane-1,2-diol
PubChem CID170827559
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-amino-1-(2-methyl-4-pyridinyl)propane-1,2-diol
SMILESCc1cc(C(O)C(O)CN)ccn1
InChIInChI=1S/C9H14N2O2/c1-6-4-7(2-3-11-6)9(13)8(12)5-10/h2-4,8-9,12-13H,5,10H2,1H3
InChIKeyGMLGUUKQLXLMLA-UHFFFAOYSA-N
XLogP-0.26
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(2-methoxy-4-pyridinyl)propane-1,2-diol
CID 170827843
(1S,2R)-2-amino-1-(2-methyl-4-pyridinyl)propan-1-ol
CID 96740451
4-azido-1-(2-methyl-4-pyridinyl)butane-1,2-diol
CID 171878958
1-(2-methyl-4-pyridinyl)ethanol
CID 106756390
2-methyl-1-(2-methyl-4-pyridinyl)pentan-1-ol
CID 107894619
(1S,2S)-1-amino-1-(2-methyl-4-pyridinyl)propan-2-ol
CID 55295314
2-amino-2-(2-methyl-4-pyridinyl)ethanol
CID 55292030
(3,5-dimethylphenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756094
(2S)-2-amino-2-(2-methyl-4-pyridinyl)ethanol
CID 55264047
1-(2-methyl-4-pyridinyl)propan-1-amine
CID 55295377
3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol
CID 170827605
3-amino-1-(4-chloro-2-pyridinyl)propane-1,2-diol
CID 170827537

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methyl-4-pyridinyl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(2-methyl-4-pyridinyl)propane-1,2-diol (CID 170827559) is 3-amino-1-(2-methyl-4-pyridinyl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(2-methyl-4-pyridinyl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(2-methyl-4-pyridinyl)propane-1,2-diol is Cc1cc(C(O)C(O)CN)ccn1.
What is the InChIKey of 3-amino-1-(2-methyl-4-pyridinyl)propane-1,2-diol?
The InChIKey is GMLGUUKQLXLMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-4-7(2-3-11-6)9(13)8(12)5-10/h2-4,8-9,12-13H,5,10H2,1H3.
What are the key properties of 3-amino-1-(2-methyl-4-pyridinyl)propane-1,2-diol?
3-amino-1-(2-methyl-4-pyridinyl)propane-1,2-diol has a molecular weight of 182.22 g/mol, XLogP of -0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methyl-4-pyridinyl)propane-1,2-diol is sourced from PubChem (CID 170827559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).