1-(6-methyl-3-pyridinyl)propane-1,2,3-triol

C9H13NO3 — CID 170817362

IUPAC1-(6-methyl-3-pyridinyl)propane-1,2,3-triol
SMILESCc1ccc(C(O)C(O)CO)cn1
InChIInChI=1S/C9H13NO3/c1-6-2-3-7(4-10-6)9(13)8(12)5-11/h2-4,8-9,11-13H,5H2,1H3
InChIKeyJBKBDAFIYJHMQL-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.22
Rot. Bonds3

About 1-(6-methyl-3-pyridinyl)propane-1,2,3-triol

1-(6-methyl-3-pyridinyl)propane-1,2,3-triol (PubChem CID 170817362) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)propane-1,2,3-triol
PubChem CID170817362
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-(6-methyl-3-pyridinyl)propane-1,2,3-triol
SMILESCc1ccc(C(O)C(O)CO)cn1
InChIInChI=1S/C9H13NO3/c1-6-2-3-7(4-10-6)9(13)8(12)5-11/h2-4,8-9,11-13H,5H2,1H3
InChIKeyJBKBDAFIYJHMQL-UHFFFAOYSA-N
XLogP-0.22
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methyl-3-pyridinyl)-3-sulfanylpropane-1,2-diol
CID 170819362
N-[2,3-dihydroxy-3-(6-methyl-3-pyridinyl)propyl]acetamide
CID 170829544
(2S)-2-amino-2-(6-methyl-3-pyridinyl)ethanol;dihydrochloride
CID 67034159
2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-ol
CID 116710731
1-quinolin-7-ylpropane-1,2,3-triol
CID 170818071
(S)-(6-methyl-3-pyridinyl)-phenylmethanol
CID 122230267
1,2,2,2-tetradeuterio-1-(6-methyl-3-pyridinyl)ethanol
CID 71750573
3-ethyl-1-(6-methyl-3-pyridinyl)pentan-1-ol
CID 104823060
(4-methoxyphenyl)-(6-methyl-3-pyridinyl)methanol
CID 63155903
(1S)-1-(4-hydroxyphenyl)propane-1,2,3-triol
CID 141239504
1-(2-methylquinolin-6-yl)butane-1,2,4-triol
CID 171873072
1-(2-methyl-3H-benzimidazol-5-yl)propane-1,2,3-triol
CID 170818053

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)propane-1,2,3-triol?
The IUPAC name of 1-(6-methyl-3-pyridinyl)propane-1,2,3-triol (CID 170817362) is 1-(6-methyl-3-pyridinyl)propane-1,2,3-triol.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)propane-1,2,3-triol?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)propane-1,2,3-triol is Cc1ccc(C(O)C(O)CO)cn1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)propane-1,2,3-triol?
The InChIKey is JBKBDAFIYJHMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6-2-3-7(4-10-6)9(13)8(12)5-11/h2-4,8-9,11-13H,5H2,1H3.
What are the key properties of 1-(6-methyl-3-pyridinyl)propane-1,2,3-triol?
1-(6-methyl-3-pyridinyl)propane-1,2,3-triol has a molecular weight of 183.21 g/mol, XLogP of -0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)propane-1,2,3-triol is sourced from PubChem (CID 170817362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).