2-(5,6-dimethylidene-3-pyridinyl)acetic acid

C9H9NO2 — CID 144822295

IUPAC2-(5,6-dimethylidene-3-pyridinyl)acetic acid
SMILESC=c1cc(CC(=O)O)cnc1=C
InChIInChI=1S/C9H9NO2/c1-6-3-8(4-9(11)12)5-10-7(6)2/h3,5H,1-2,4H2,(H,11,12)
InChIKeyZOMVEVPAZHSLJP-UHFFFAOYSA-N
MW163.18 g/mol
LogP-0.47
Rot. Bonds2

About 2-(5,6-dimethylidene-3-pyridinyl)acetic acid

2-(5,6-dimethylidene-3-pyridinyl)acetic acid (PubChem CID 144822295) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-(5,6-dimethylidene-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(5,6-dimethylidene-3-pyridinyl)acetic acid
PubChem CID144822295
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name2-(5,6-dimethylidene-3-pyridinyl)acetic acid
SMILESC=c1cc(CC(=O)O)cnc1=C
InChIInChI=1S/C9H9NO2/c1-6-3-8(4-9(11)12)5-10-7(6)2/h3,5H,1-2,4H2,(H,11,12)
InChIKeyZOMVEVPAZHSLJP-UHFFFAOYSA-N
XLogP-0.47
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,7-Dihydroquinoline-3-carboxylic acid
CID 90007711
5-(3H-pyridin-2-ylidenemethyl)hepta-3,5-dienoic acid
CID 123705932
2-[(5Z,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-3-pyridinyl]acetic acid
CID 164563371
4-(3H-Pyrrol-3-ylidene)butanoic acid
CID 165357906
2-(8-Bromo-6,7-dihydroquinolin-3-yl)acetic acid
CID 177982672

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylidene-3-pyridinyl)acetic acid?
The IUPAC name of 2-(5,6-dimethylidene-3-pyridinyl)acetic acid (CID 144822295) is 2-(5,6-dimethylidene-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(5,6-dimethylidene-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(5,6-dimethylidene-3-pyridinyl)acetic acid is C=c1cc(CC(=O)O)cnc1=C.
What is the InChIKey of 2-(5,6-dimethylidene-3-pyridinyl)acetic acid?
The InChIKey is ZOMVEVPAZHSLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-6-3-8(4-9(11)12)5-10-7(6)2/h3,5H,1-2,4H2,(H,11,12).
What are the key properties of 2-(5,6-dimethylidene-3-pyridinyl)acetic acid?
2-(5,6-dimethylidene-3-pyridinyl)acetic acid has a molecular weight of 163.18 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylidene-3-pyridinyl)acetic acid is sourced from PubChem (CID 144822295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).