1-[4-(hydroxymethyl)-2-pyridinyl]propane-1,2,3-triol

C9H13NO4 — CID 170817640

IUPAC1-[4-(hydroxymethyl)-2-pyridinyl]propane-1,2,3-triol
SMILESOCc1ccnc(C(O)C(O)CO)c1
InChIInChI=1S/C9H13NO4/c11-4-6-1-2-10-7(3-6)9(14)8(13)5-12/h1-3,8-9,11-14H,4-5H2
InChIKeyXIPAEYVNTZUBGX-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.04
Rot. Bonds4

About 1-[4-(hydroxymethyl)-2-pyridinyl]propane-1,2,3-triol

1-[4-(hydroxymethyl)-2-pyridinyl]propane-1,2,3-triol (PubChem CID 170817640) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-2-pyridinyl]propane-1,2,3-triol.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-2-pyridinyl]propane-1,2,3-triol
PubChem CID170817640
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name1-[4-(hydroxymethyl)-2-pyridinyl]propane-1,2,3-triol
SMILESOCc1ccnc(C(O)C(O)CO)c1
InChIInChI=1S/C9H13NO4/c11-4-6-1-2-10-7(3-6)9(14)8(13)5-12/h1-3,8-9,11-14H,4-5H2
InChIKeyXIPAEYVNTZUBGX-UHFFFAOYSA-N
XLogP-1.04
TPSA93.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-azido-1-[4-(hydroxymethyl)-2-pyridinyl]butane-1,2-diol
CID 171879244
(2S)-2-amino-2-[4-(hydroxymethyl)-2-pyridinyl]ethanol
CID 55262518
benzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-2-pyridinyl]propyl]carbamate
CID 171855701
[2-[(1S)-1-aminopropyl]-4-pyridinyl]methanol
CID 130677514
[2-(1-aminoprop-2-enyl)-4-pyridinyl]methanol
CID 55292388
[2-[(R)-amino(cyclopropyl)methyl]-4-pyridinyl]methanol
CID 55277194
(2-methyl-4-pyridinyl)methanol;hydrochloride
CID 171364039
tris([2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol);ruthenium(2+);dichloride
CID 170900756
(2-chloro-4-pyridinyl)methanol
CID 7062237
1-(4-amino-2-pyridinyl)-3-sulfanylpropane-1,2-diol
CID 170819333
1-(2-chloro-4-pyridinyl)propane-1,2,3-triol
CID 170817359
[1-[4-(hydroxymethyl)-2-pyridinyl]-2,2-dimethylpropyl]carbamic acid
CID 118291945

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-2-pyridinyl]propane-1,2,3-triol?
The IUPAC name of 1-[4-(hydroxymethyl)-2-pyridinyl]propane-1,2,3-triol (CID 170817640) is 1-[4-(hydroxymethyl)-2-pyridinyl]propane-1,2,3-triol.
What is the SMILES notation for 1-[4-(hydroxymethyl)-2-pyridinyl]propane-1,2,3-triol?
The canonical SMILES for 1-[4-(hydroxymethyl)-2-pyridinyl]propane-1,2,3-triol is OCc1ccnc(C(O)C(O)CO)c1.
What is the InChIKey of 1-[4-(hydroxymethyl)-2-pyridinyl]propane-1,2,3-triol?
The InChIKey is XIPAEYVNTZUBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c11-4-6-1-2-10-7(3-6)9(14)8(13)5-12/h1-3,8-9,11-14H,4-5H2.
What are the key properties of 1-[4-(hydroxymethyl)-2-pyridinyl]propane-1,2,3-triol?
1-[4-(hydroxymethyl)-2-pyridinyl]propane-1,2,3-triol has a molecular weight of 199.21 g/mol, XLogP of -1.04, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-2-pyridinyl]propane-1,2,3-triol is sourced from PubChem (CID 170817640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).