(Z)-3-(5-fluoro-3-pyridinyl)prop-2-enoic acid

C8H6FNO2 — CID 97054332

IUPAC(Z)-3-(5-fluoro-3-pyridinyl)prop-2-enoic acid
SMILESO=C(O)/C=C\c1cncc(F)c1
InChIInChI=1S/C8H6FNO2/c9-7-3-6(4-10-5-7)1-2-8(11)12/h1-5H,(H,11,12)/b2-1-
InChIKeyZPEUSCORKLJHLE-UPHRSURJSA-N
MW167.14 g/mol
LogP1.32
Rot. Bonds2

About (Z)-3-(5-fluoro-3-pyridinyl)prop-2-enoic acid

(Z)-3-(5-fluoro-3-pyridinyl)prop-2-enoic acid (PubChem CID 97054332) has the molecular formula C8H6FNO2 and a molecular weight of 167.14 g/mol. Its IUPAC name is (Z)-3-(5-fluoro-3-pyridinyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(5-fluoro-3-pyridinyl)prop-2-enoic acid
PubChem CID97054332
Molecular FormulaC8H6FNO2
Molecular Weight167.14 g/mol
Exact Mass167.04
IUPAC Name(Z)-3-(5-fluoro-3-pyridinyl)prop-2-enoic acid
SMILESO=C(O)/C=C\c1cncc(F)c1
InChIInChI=1S/C8H6FNO2/c9-7-3-6(4-10-5-7)1-2-8(11)12/h1-5H,(H,11,12)/b2-1-
InChIKeyZPEUSCORKLJHLE-UPHRSURJSA-N
XLogP1.32
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5-amino-6-fluoro-3-pyridinyl)prop-2-enoic acid
CID 169460285
1-[3-(5-fluoro-3-pyridinyl)prop-2-enoyl]pyrrolidine-3-carboxylic acid
CID 126786350
(Z)-3-[5-(dimethylsulfamoyl)-3-pyridinyl]prop-2-enoic acid
CID 97301543
3-(5-ethoxycarbonyl-3-pyridinyl)prop-2-enoic acid
CID 169460847
3-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid
CID 54974747
(E)-3-[5-(5-bromo-2,3-difluorophenoxy)-3-pyridinyl]prop-2-enoic acid
CID 107100669
3-[5-(cyclopropylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 54974848
3-[5-[2-(dimethylamino)ethyl-methylcarbamoyl]-3-pyridinyl]prop-2-enoic acid
CID 77004571
3-[5-[ethyl(methyl)sulfamoyl]-3-pyridinyl]prop-2-enoic acid
CID 76922838
3-[5-(cyclopropylsulfamoyl)-3-pyridinyl]prop-2-enoic acid
CID 76922979
4-(5-fluoro-3-pyridinyl)but-3-enenitrile
CID 170799127
3-(5-fluoro-3-pyridinyl)-N-[(3-hydroxycyclohexyl)methyl]prop-2-enamide
CID 111460349

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(5-fluoro-3-pyridinyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(5-fluoro-3-pyridinyl)prop-2-enoic acid (CID 97054332) is (Z)-3-(5-fluoro-3-pyridinyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(5-fluoro-3-pyridinyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(5-fluoro-3-pyridinyl)prop-2-enoic acid is O=C(O)/C=C\c1cncc(F)c1.
What is the InChIKey of (Z)-3-(5-fluoro-3-pyridinyl)prop-2-enoic acid?
The InChIKey is ZPEUSCORKLJHLE-UPHRSURJSA-N. The full InChI is InChI=1S/C8H6FNO2/c9-7-3-6(4-10-5-7)1-2-8(11)12/h1-5H,(H,11,12)/b2-1-.
What are the key properties of (Z)-3-(5-fluoro-3-pyridinyl)prop-2-enoic acid?
(Z)-3-(5-fluoro-3-pyridinyl)prop-2-enoic acid has a molecular weight of 167.14 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(5-fluoro-3-pyridinyl)prop-2-enoic acid is sourced from PubChem (CID 97054332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).