5-(3-cyanooxolan-3-yl)pyridine-2-carboxylic acid

C11H10N2O3 — CID 130407792

IUPAC5-(3-cyanooxolan-3-yl)pyridine-2-carboxylic acid
SMILESN#CC1(c2ccc(C(=O)O)nc2)CCOC1
InChIInChI=1S/C11H10N2O3/c12-6-11(3-4-16-7-11)8-1-2-9(10(14)15)13-5-8/h1-2,5H,3-4,7H2,(H,14,15)
InChIKeyDOMOMMDHOAVJIO-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.96
Rot. Bonds2

About 5-(3-cyanooxolan-3-yl)pyridine-2-carboxylic acid

5-(3-cyanooxolan-3-yl)pyridine-2-carboxylic acid (PubChem CID 130407792) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 5-(3-cyanooxolan-3-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-cyanooxolan-3-yl)pyridine-2-carboxylic acid
PubChem CID130407792
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name5-(3-cyanooxolan-3-yl)pyridine-2-carboxylic acid
SMILESN#CC1(c2ccc(C(=O)O)nc2)CCOC1
InChIInChI=1S/C11H10N2O3/c12-6-11(3-4-16-7-11)8-1-2-9(10(14)15)13-5-8/h1-2,5H,3-4,7H2,(H,14,15)
InChIKeyDOMOMMDHOAVJIO-UHFFFAOYSA-N
XLogP0.96
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyridin-4-yloxolane-3-carbonitrile
CID 130160291
(3S)-3-(4-chlorophenyl)oxolane-3-carbonitrile
CID 97052382
(3S)-3-(4-bromophenyl)oxolane-3-carbonitrile
CID 124544632
4-(6-amino-3-pyridinyl)oxane-4-carbonitrile
CID 135319720
ethyl 4-[4-(3-cyanooxolan-3-yl)phenyl]oxane-4-carboxylate
CID 177063779
ethyl 2-[4-(3-cyanooxolan-3-yl)phenyl]butanoate
CID 130418030
5-[2-(4-fluorophenyl)oxolan-2-yl]pyridine-2-carboxylic acid
CID 146260178
5-(3-hydroxyazetidin-3-yl)pyridine-2-carboxylic acid
CID 138689746
(3S)-3-(3-methylphenyl)oxolane-3-carbonitrile
CID 125063215
5-(1,9-dioxa-4-azaspiro[5.5]undecan-4-ylsulfonyl)pyridine-2-carboxylic acid
CID 138001404
(3R)-3-(4-methylphenyl)oxane-3-carbonitrile
CID 125449794
(3R)-3-(4-fluorophenyl)oxane-3-carbonitrile
CID 125450406

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanooxolan-3-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(3-cyanooxolan-3-yl)pyridine-2-carboxylic acid (CID 130407792) is 5-(3-cyanooxolan-3-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-cyanooxolan-3-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-cyanooxolan-3-yl)pyridine-2-carboxylic acid is N#CC1(c2ccc(C(=O)O)nc2)CCOC1.
What is the InChIKey of 5-(3-cyanooxolan-3-yl)pyridine-2-carboxylic acid?
The InChIKey is DOMOMMDHOAVJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c12-6-11(3-4-16-7-11)8-1-2-9(10(14)15)13-5-8/h1-2,5H,3-4,7H2,(H,14,15).
What are the key properties of 5-(3-cyanooxolan-3-yl)pyridine-2-carboxylic acid?
5-(3-cyanooxolan-3-yl)pyridine-2-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyanooxolan-3-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 130407792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).