(Z)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoic acid

C9H8FNO3 — CID 170439005

IUPAC(Z)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoic acid
SMILESCOc1cccc(/C=C(\F)C(=O)O)n1
InChIInChI=1S/C9H8FNO3/c1-14-8-4-2-3-6(11-8)5-7(10)9(12)13/h2-5H,1H3,(H,12,13)/b7-5-
InChIKeyGPRUNKDHYNCSMH-ALCCZGGFSA-N
MW197.16 g/mol
LogP1.49
Rot. Bonds3

About (Z)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoic acid

(Z)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoic acid (PubChem CID 170439005) has the molecular formula C9H8FNO3 and a molecular weight of 197.16 g/mol. Its IUPAC name is (Z)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoic acid
PubChem CID170439005
Molecular FormulaC9H8FNO3
Molecular Weight197.16 g/mol
Exact Mass197.05
IUPAC Name(Z)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoic acid
SMILESCOc1cccc(/C=C(\F)C(=O)O)n1
InChIInChI=1S/C9H8FNO3/c1-14-8-4-2-3-6(11-8)5-7(10)9(12)13/h2-5H,1H3,(H,12,13)/b7-5-
InChIKeyGPRUNKDHYNCSMH-ALCCZGGFSA-N
XLogP1.49
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoic acid (CID 170439005) is (Z)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoic acid is COc1cccc(/C=C(\F)C(=O)O)n1.
What is the InChIKey of (Z)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoic acid?
The InChIKey is GPRUNKDHYNCSMH-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H8FNO3/c1-14-8-4-2-3-6(11-8)5-7(10)9(12)13/h2-5H,1H3,(H,12,13)/b7-5-.
What are the key properties of (Z)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoic acid?
(Z)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoic acid has a molecular weight of 197.16 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoic acid is sourced from PubChem (CID 170439005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).