5-(3-hydroxyprop-1-ynyl)-3-methylpyridine-2-carboxylic acid

C10H9NO3 — CID 169485326

IUPAC5-(3-hydroxyprop-1-ynyl)-3-methylpyridine-2-carboxylic acid
SMILESCc1cc(C#CCO)cnc1C(=O)O
InChIInChI=1S/C10H9NO3/c1-7-5-8(3-2-4-12)6-11-9(7)10(13)14/h5-6,12H,4H2,1H3,(H,13,14)
InChIKeyWNRFLLPEDAMFQU-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.43
Rot. Bonds1

About 5-(3-hydroxyprop-1-ynyl)-3-methylpyridine-2-carboxylic acid

5-(3-hydroxyprop-1-ynyl)-3-methylpyridine-2-carboxylic acid (PubChem CID 169485326) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-3-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-3-methylpyridine-2-carboxylic acid
PubChem CID169485326
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name5-(3-hydroxyprop-1-ynyl)-3-methylpyridine-2-carboxylic acid
SMILESCc1cc(C#CCO)cnc1C(=O)O
InChIInChI=1S/C10H9NO3/c1-7-5-8(3-2-4-12)6-11-9(7)10(13)14/h5-6,12H,4H2,1H3,(H,13,14)
InChIKeyWNRFLLPEDAMFQU-UHFFFAOYSA-N
XLogP0.43
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-3-methylpyridine-2-carboxylic acid?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-3-methylpyridine-2-carboxylic acid (CID 169485326) is 5-(3-hydroxyprop-1-ynyl)-3-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-3-methylpyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-3-methylpyridine-2-carboxylic acid is Cc1cc(C#CCO)cnc1C(=O)O.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-3-methylpyridine-2-carboxylic acid?
The InChIKey is WNRFLLPEDAMFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-7-5-8(3-2-4-12)6-11-9(7)10(13)14/h5-6,12H,4H2,1H3,(H,13,14).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-3-methylpyridine-2-carboxylic acid?
5-(3-hydroxyprop-1-ynyl)-3-methylpyridine-2-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-3-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 169485326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).