3-(prop-2-ynoxymethyl)pyridine-2-carboxylic acid

C10H9NO3 — CID 63073065

IUPAC3-(prop-2-ynoxymethyl)pyridine-2-carboxylic acid
SMILESC#CCOCc1cccnc1C(=O)O
InChIInChI=1S/C10H9NO3/c1-2-6-14-7-8-4-3-5-11-9(8)10(12)13/h1,3-5H,6-7H2,(H,12,13)
InChIKeyJQFJXRWGCLUYGM-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.93
Rot. Bonds4

About 3-(prop-2-ynoxymethyl)pyridine-2-carboxylic acid

3-(prop-2-ynoxymethyl)pyridine-2-carboxylic acid (PubChem CID 63073065) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-(prop-2-ynoxymethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(prop-2-ynoxymethyl)pyridine-2-carboxylic acid
PubChem CID63073065
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name3-(prop-2-ynoxymethyl)pyridine-2-carboxylic acid
SMILESC#CCOCc1cccnc1C(=O)O
InChIInChI=1S/C10H9NO3/c1-2-6-14-7-8-4-3-5-11-9(8)10(12)13/h1,3-5H,6-7H2,(H,12,13)
InChIKeyJQFJXRWGCLUYGM-UHFFFAOYSA-N
XLogP0.93
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(but-3-ynoxymethyl)pyridine-2-carboxylic acid
CID 106795235
3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074333
3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63073600
3-(4-methylpentoxymethyl)pyridine-2-carboxylic acid
CID 55179936
3-[(2,3-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 63097860
3-(4-methylpentan-2-yloxymethyl)pyridine-2-carboxylic acid
CID 55181278
3-[[4-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 63073121
acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690
3-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 79407875
3-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074336
3-(methylsulfonylmethyl)pyridine-2-carboxylic acid
CID 153267401
3-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63075184

Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-ynoxymethyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(prop-2-ynoxymethyl)pyridine-2-carboxylic acid (CID 63073065) is 3-(prop-2-ynoxymethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(prop-2-ynoxymethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(prop-2-ynoxymethyl)pyridine-2-carboxylic acid is C#CCOCc1cccnc1C(=O)O.
What is the InChIKey of 3-(prop-2-ynoxymethyl)pyridine-2-carboxylic acid?
The InChIKey is JQFJXRWGCLUYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-2-6-14-7-8-4-3-5-11-9(8)10(12)13/h1,3-5H,6-7H2,(H,12,13).
What are the key properties of 3-(prop-2-ynoxymethyl)pyridine-2-carboxylic acid?
3-(prop-2-ynoxymethyl)pyridine-2-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-ynoxymethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 63073065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).