(2Z)-2-(1H-pyridin-2-ylidene)acetic acid

C7H7NO2 — CID 101366543

IUPAC(2Z)-2-(1H-pyridin-2-ylidene)acetic acid
SMILESO=C(O)/C=C1/C=CC=CN1
InChIInChI=1S/C7H7NO2/c9-7(10)5-6-3-1-2-4-8-6/h1-5,8H,(H,9,10)/b6-5-
InChIKeyVHISPZAGUIBLKM-WAYWQWQTSA-N
MW137.14 g/mol
LogP0.63
Rot. Bonds1

About (2Z)-2-(1H-pyridin-2-ylidene)acetic acid

(2Z)-2-(1H-pyridin-2-ylidene)acetic acid (PubChem CID 101366543) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is (2Z)-2-(1H-pyridin-2-ylidene)acetic acid.

Molecular Properties

Compound Name(2Z)-2-(1H-pyridin-2-ylidene)acetic acid
PubChem CID101366543
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name(2Z)-2-(1H-pyridin-2-ylidene)acetic acid
SMILESO=C(O)/C=C1/C=CC=CN1
InChIInChI=1S/C7H7NO2/c9-7(10)5-6-3-1-2-4-8-6/h1-5,8H,(H,9,10)/b6-5-
InChIKeyVHISPZAGUIBLKM-WAYWQWQTSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-2-(1H-pyridin-2-ylidene)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-pyridin-2-ylidenemethanol
CID 154723052
(2Z)-2-(3-methylbutylidene)-1H-pyridine
CID 143595201
2-cycloprop-2-en-1-ylideneacetic acid
CID 131854742
1H-azepine-3-carboxylic acid;hydroiodide
CID 139782631
1H-1-benzazepine;2,2,2-trifluoroacetic acid
CID 18697798
ethene;2-(1H-pyridin-2-ylidene)-1H-pyridine
CID 175098861
1H-1-benzazepine;1,3-diphenylprop-2-en-1-one
CID 175114549
azane;1H-pyridin-2-ylidenemethanone
CID 87709743
(2Z)-2-[(3-ethyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine
CID 166540804
bis(1H-azepin-3-yl)carbamic acid
CID 118076496
2,3-dibenzyl-1H-azepine
CID 172724902
(3-chloro-1H-azepin-2-yl)methanol
CID 168865515

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1H-pyridin-2-ylidene)acetic acid?
The IUPAC name of (2Z)-2-(1H-pyridin-2-ylidene)acetic acid (CID 101366543) is (2Z)-2-(1H-pyridin-2-ylidene)acetic acid.
What is the SMILES notation for (2Z)-2-(1H-pyridin-2-ylidene)acetic acid?
The canonical SMILES for (2Z)-2-(1H-pyridin-2-ylidene)acetic acid is O=C(O)/C=C1/C=CC=CN1.
What is the InChIKey of (2Z)-2-(1H-pyridin-2-ylidene)acetic acid?
The InChIKey is VHISPZAGUIBLKM-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H7NO2/c9-7(10)5-6-3-1-2-4-8-6/h1-5,8H,(H,9,10)/b6-5-.
What are the key properties of (2Z)-2-(1H-pyridin-2-ylidene)acetic acid?
(2Z)-2-(1H-pyridin-2-ylidene)acetic acid has a molecular weight of 137.14 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1H-pyridin-2-ylidene)acetic acid is sourced from PubChem (CID 101366543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).