1-(2-amino-5-methyl-3-pyridinyl)propane-1,2-diol

C9H14N2O2 — CID 103452733

IUPAC1-(2-amino-5-methyl-3-pyridinyl)propane-1,2-diol
SMILESCc1cnc(N)c(C(O)C(C)O)c1
InChIInChI=1S/C9H14N2O2/c1-5-3-7(8(13)6(2)12)9(10)11-4-5/h3-4,6,8,12-13H,1-2H3,(H2,10,11)
InChIKeyVAURIEZEIDETMZ-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.39
Rot. Bonds2

About 1-(2-amino-5-methyl-3-pyridinyl)propane-1,2-diol

1-(2-amino-5-methyl-3-pyridinyl)propane-1,2-diol (PubChem CID 103452733) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(2-amino-5-methyl-3-pyridinyl)propane-1,2-diol.

Molecular Properties

Compound Name1-(2-amino-5-methyl-3-pyridinyl)propane-1,2-diol
PubChem CID103452733
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(2-amino-5-methyl-3-pyridinyl)propane-1,2-diol
SMILESCc1cnc(N)c(C(O)C(C)O)c1
InChIInChI=1S/C9H14N2O2/c1-5-3-7(8(13)6(2)12)9(10)11-4-5/h3-4,6,8,12-13H,1-2H3,(H2,10,11)
InChIKeyVAURIEZEIDETMZ-UHFFFAOYSA-N
XLogP0.39
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-5-methyl-3-pyridinyl)-4-chlorobutan-1-ol
CID 66046118
5-methyl-3-pentan-2-ylpyridin-2-amine
CID 107887874
S-[4-(2-amino-5-methyl-3-pyridinyl)-3,4-dihydroxybutyl] ethanethioate
CID 171875544
1-(2-amino-5-methyl-3-pyridinyl)-3-(dimethylamino)propan-1-ol
CID 115345867
1-[(2-amino-5-methyl-3-pyridinyl)-hydroxymethyl]cyclohexan-1-ol
CID 103451752
1-(2-amino-5-methyl-3-pyridinyl)-4-methoxybutan-1-ol
CID 65092617
1-(2-amino-5-methyl-3-pyridinyl)-2-cyclohexyl-2-ethoxyethanol
CID 116756726
3-(1-aminoprop-2-enyl)-5-methylpyridin-2-amine
CID 55291745
(2-amino-5-methyl-3-pyridinyl)-(2,3-dihydro-1H-inden-2-yl)methanol
CID 65411370
3-(1-hydrazinylpropyl)-5-methylpyridin-2-amine
CID 105201163
tert-butyl N-[4-(2-amino-5-methyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171884501
(2-amino-5-methyl-3-pyridinyl)-(2-bromo-5-chlorophenyl)methanol
CID 66156485

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methyl-3-pyridinyl)propane-1,2-diol?
The IUPAC name of 1-(2-amino-5-methyl-3-pyridinyl)propane-1,2-diol (CID 103452733) is 1-(2-amino-5-methyl-3-pyridinyl)propane-1,2-diol.
What is the SMILES notation for 1-(2-amino-5-methyl-3-pyridinyl)propane-1,2-diol?
The canonical SMILES for 1-(2-amino-5-methyl-3-pyridinyl)propane-1,2-diol is Cc1cnc(N)c(C(O)C(C)O)c1.
What is the InChIKey of 1-(2-amino-5-methyl-3-pyridinyl)propane-1,2-diol?
The InChIKey is VAURIEZEIDETMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5-3-7(8(13)6(2)12)9(10)11-4-5/h3-4,6,8,12-13H,1-2H3,(H2,10,11).
What are the key properties of 1-(2-amino-5-methyl-3-pyridinyl)propane-1,2-diol?
1-(2-amino-5-methyl-3-pyridinyl)propane-1,2-diol has a molecular weight of 182.22 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methyl-3-pyridinyl)propane-1,2-diol is sourced from PubChem (CID 103452733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).