1-(3-methyl-4-pyridinyl)propane-1,2,3-triol

C9H13NO3 — CID 170817371

IUPAC1-(3-methyl-4-pyridinyl)propane-1,2,3-triol
SMILESCc1cnccc1C(O)C(O)CO
InChIInChI=1S/C9H13NO3/c1-6-4-10-3-2-7(6)9(13)8(12)5-11/h2-4,8-9,11-13H,5H2,1H3
InChIKeyHFWWHTJJQKHALV-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.22
Rot. Bonds3

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

1-(3-methyl-4-pyridinyl)propane-1,2,3-triol (PubChem CID 170817371) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(3-methyl-4-pyridinyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(3-methyl-4-pyridinyl)propane-1,2,3-triol
PubChem CID170817371
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-(3-methyl-4-pyridinyl)propane-1,2,3-triol
SMILESCc1cnccc1C(O)C(O)CO
InChIInChI=1S/C9H13NO3/c1-6-4-10-3-2-7(6)9(13)8(12)5-11/h2-4,8-9,11-13H,5H2,1H3
InChIKeyHFWWHTJJQKHALV-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

3-bromo-1-(3-methyl-4-pyridinyl)propane-1,2-diol
CID 171859479
4-amino-1-(3-methyl-4-pyridinyl)butane-1,2-diol
CID 171880754
(1R)-2-amino-1-(3-methyl-4-pyridinyl)ethanol
CID 96848687
1-(3-fluoro-4-pyridinyl)butane-1,2-diol
CID 103454633
4-butan-2-yl-3-methylpyridine
CID 66641815
N-[3,4-dihydroxy-4-(4-methyl-3-pyridinyl)butyl]acetamide
CID 171882544
(2R)-2-amino-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 164658532
2-ethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol
CID 103449352
(2-fluoro-4-methoxyphenyl)-(3-methyl-4-pyridinyl)methanol
CID 103395465
1-(3-amino-4-methyl-2-pyridinyl)propane-1,2,3-triol
CID 170817535
1-(4-methyl-3-pyridinyl)-2-pyridin-4-ylethanol
CID 66273541
3-methyl-4-pentan-2-ylpyridine
CID 143325066

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-pyridinyl)propane-1,2,3-triol?
The IUPAC name of 1-(3-methyl-4-pyridinyl)propane-1,2,3-triol (CID 170817371) is 1-(3-methyl-4-pyridinyl)propane-1,2,3-triol.
What is the SMILES notation for 1-(3-methyl-4-pyridinyl)propane-1,2,3-triol?
The canonical SMILES for 1-(3-methyl-4-pyridinyl)propane-1,2,3-triol is Cc1cnccc1C(O)C(O)CO.
What is the InChIKey of 1-(3-methyl-4-pyridinyl)propane-1,2,3-triol?
The InChIKey is HFWWHTJJQKHALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6-4-10-3-2-7(6)9(13)8(12)5-11/h2-4,8-9,11-13H,5H2,1H3.
What are the key properties of 1-(3-methyl-4-pyridinyl)propane-1,2,3-triol?
1-(3-methyl-4-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-(3-methyl-4-pyridinyl)propane-1,2,3-triol is sourced from PubChem (CID 170817371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).