5-[(3S)-3,4-dihydroxybutyl]pyridine-2-carboxylic acid

C10H13NO4 — CID 134611747

IUPAC5-[(3S)-3,4-dihydroxybutyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CC[C@H](O)CO)cn1
InChIInChI=1S/C10H13NO4/c12-6-8(13)3-1-7-2-4-9(10(14)15)11-5-7/h2,4-5,8,12-13H,1,3,6H2,(H,14,15)/t8-/m0/s1
InChIKeyUVVYRQPKVBATGU-QMMMGPOBSA-N
MW211.22 g/mol
LogP0.07
Rot. Bonds5

About 5-[(3S)-3,4-dihydroxybutyl]pyridine-2-carboxylic acid

5-[(3S)-3,4-dihydroxybutyl]pyridine-2-carboxylic acid (PubChem CID 134611747) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-[(3S)-3,4-dihydroxybutyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3S)-3,4-dihydroxybutyl]pyridine-2-carboxylic acid
PubChem CID134611747
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name5-[(3S)-3,4-dihydroxybutyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CC[C@H](O)CO)cn1
InChIInChI=1S/C10H13NO4/c12-6-8(13)3-1-7-2-4-9(10(14)15)11-5-7/h2,4-5,8,12-13H,1,3,6H2,(H,14,15)/t8-/m0/s1
InChIKeyUVVYRQPKVBATGU-QMMMGPOBSA-N
XLogP0.07
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3,4-dihydroxybutyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(3S)-3,4-dihydroxybutyl]pyridine-2-carboxylic acid (CID 134611747) is 5-[(3S)-3,4-dihydroxybutyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(3S)-3,4-dihydroxybutyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(3S)-3,4-dihydroxybutyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(CC[C@H](O)CO)cn1.
What is the InChIKey of 5-[(3S)-3,4-dihydroxybutyl]pyridine-2-carboxylic acid?
The InChIKey is UVVYRQPKVBATGU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13NO4/c12-6-8(13)3-1-7-2-4-9(10(14)15)11-5-7/h2,4-5,8,12-13H,1,3,6H2,(H,14,15)/t8-/m0/s1.
What are the key properties of 5-[(3S)-3,4-dihydroxybutyl]pyridine-2-carboxylic acid?
5-[(3S)-3,4-dihydroxybutyl]pyridine-2-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3,4-dihydroxybutyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 134611747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).