5-(1,2,3-trihydroxypropyl)pyridine-3-carboxylic acid

C9H11NO5 — CID 170817946

IUPAC5-(1,2,3-trihydroxypropyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(C(O)C(O)CO)c1
InChIInChI=1S/C9H11NO5/c11-4-7(12)8(13)5-1-6(9(14)15)3-10-2-5/h1-3,7-8,11-13H,4H2,(H,14,15)
InChIKeyLBMOULFJBOFARI-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.83
Rot. Bonds4

About 5-(1,2,3-trihydroxypropyl)pyridine-3-carboxylic acid

5-(1,2,3-trihydroxypropyl)pyridine-3-carboxylic acid (PubChem CID 170817946) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is 5-(1,2,3-trihydroxypropyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(1,2,3-trihydroxypropyl)pyridine-3-carboxylic acid
PubChem CID170817946
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name5-(1,2,3-trihydroxypropyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(C(O)C(O)CO)c1
InChIInChI=1S/C9H11NO5/c11-4-7(12)8(13)5-1-6(9(14)15)3-10-2-5/h1-3,7-8,11-13H,4H2,(H,14,15)
InChIKeyLBMOULFJBOFARI-UHFFFAOYSA-N
XLogP-0.83
TPSA110.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid
CID 171901054
3-amino-5-(1,2,3-trihydroxypropyl)benzoic acid
CID 170818309
5-(1,2,3-trihydroxypropyl)pyridine-3-carbaldehyde
CID 170817631
1-[5-(1,2-dihydroxy-3-sulfanylpropyl)-3-pyridinyl]ethanone
CID 170819990
S-[3-(5-acetyl-3-pyridinyl)-2,3-dihydroxypropyl] ethanethioate
CID 170822048
5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carboxamide
CID 171862032
5-(1-amino-2-hydroxypropyl)pyridine-3-carboxylic acid
CID 55268758
4-(5-acetyl-3-pyridinyl)-3,4-dihydroxybutanamide
CID 171899288
pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809
pyridine-3,5-dicarboxylic acid;dihydrobromide
CID 139466512
5-[(1R)-1-(methylamino)ethyl]pyridine-3-carboxylic acid
CID 131138422
methyl 5-(3-acetylsulfanyl-1,2-dihydroxypropyl)pyridine-3-carboxylate
CID 170822386

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3-trihydroxypropyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(1,2,3-trihydroxypropyl)pyridine-3-carboxylic acid (CID 170817946) is 5-(1,2,3-trihydroxypropyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(1,2,3-trihydroxypropyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(1,2,3-trihydroxypropyl)pyridine-3-carboxylic acid is O=C(O)c1cncc(C(O)C(O)CO)c1.
What is the InChIKey of 5-(1,2,3-trihydroxypropyl)pyridine-3-carboxylic acid?
The InChIKey is LBMOULFJBOFARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c11-4-7(12)8(13)5-1-6(9(14)15)3-10-2-5/h1-3,7-8,11-13H,4H2,(H,14,15).
What are the key properties of 5-(1,2,3-trihydroxypropyl)pyridine-3-carboxylic acid?
5-(1,2,3-trihydroxypropyl)pyridine-3-carboxylic acid has a molecular weight of 213.19 g/mol, XLogP of -0.83, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3-trihydroxypropyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 170817946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).