4-(6-cyano-5-fluoro-3-pyridinyl)but-3-enoic acid

C10H7FN2O2 — CID 170483507

IUPAC4-(6-cyano-5-fluoro-3-pyridinyl)but-3-enoic acid
SMILESN#Cc1ncc(C=CCC(=O)O)cc1F
InChIInChI=1S/C10H7FN2O2/c11-8-4-7(2-1-3-10(14)15)6-13-9(8)5-12/h1-2,4,6H,3H2,(H,14,15)
InChIKeyDBBAHZVJJGYNEI-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.58
Rot. Bonds3

About 4-(6-cyano-5-fluoro-3-pyridinyl)but-3-enoic acid

4-(6-cyano-5-fluoro-3-pyridinyl)but-3-enoic acid (PubChem CID 170483507) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 4-(6-cyano-5-fluoro-3-pyridinyl)but-3-enoic acid.

Molecular Properties

Compound Name4-(6-cyano-5-fluoro-3-pyridinyl)but-3-enoic acid
PubChem CID170483507
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name4-(6-cyano-5-fluoro-3-pyridinyl)but-3-enoic acid
SMILESN#Cc1ncc(C=CCC(=O)O)cc1F
InChIInChI=1S/C10H7FN2O2/c11-8-4-7(2-1-3-10(14)15)6-13-9(8)5-12/h1-2,4,6H,3H2,(H,14,15)
InChIKeyDBBAHZVJJGYNEI-UHFFFAOYSA-N
XLogP1.58
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-amino-5-cyano-3-pyridinyl)but-3-enoic acid
CID 170483669
4-(5-cyano-3-pyridinyl)but-3-enoic acid
CID 170483214
4-(3,4,5-trifluorophenyl)but-3-enoic acid
CID 170483384
4-(2-methylsulfanylpyrimidin-5-yl)but-3-enoic acid
CID 170483203
4-[2-(cyanomethyl)-5-fluorophenyl]but-3-enoic acid
CID 170483931
4-(5-chloro-3-pyridinyl)but-3-enoic acid
CID 170483048
4-(5-bromo-3-pyridinyl)but-3-enoic acid
CID 170484556
4-(2,4,6-trifluorophenyl)but-3-enoic acid
CID 170483376
4-(6-amino-5-methoxy-3-pyridinyl)but-3-enoic acid
CID 170483537
ethyl 4-(6-amino-5-cyano-3-pyridinyl)but-3-enoate
CID 170796244
4-(6-methyl-5-nitro-3-pyridinyl)but-3-enoic acid
CID 170483903
3-fluoro-5-(4-formylphenyl)pyridine-2-carbonitrile
CID 146636310

Frequently Asked Questions

What is the IUPAC name of 4-(6-cyano-5-fluoro-3-pyridinyl)but-3-enoic acid?
The IUPAC name of 4-(6-cyano-5-fluoro-3-pyridinyl)but-3-enoic acid (CID 170483507) is 4-(6-cyano-5-fluoro-3-pyridinyl)but-3-enoic acid.
What is the SMILES notation for 4-(6-cyano-5-fluoro-3-pyridinyl)but-3-enoic acid?
The canonical SMILES for 4-(6-cyano-5-fluoro-3-pyridinyl)but-3-enoic acid is N#Cc1ncc(C=CCC(=O)O)cc1F.
What is the InChIKey of 4-(6-cyano-5-fluoro-3-pyridinyl)but-3-enoic acid?
The InChIKey is DBBAHZVJJGYNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-8-4-7(2-1-3-10(14)15)6-13-9(8)5-12/h1-2,4,6H,3H2,(H,14,15).
What are the key properties of 4-(6-cyano-5-fluoro-3-pyridinyl)but-3-enoic acid?
4-(6-cyano-5-fluoro-3-pyridinyl)but-3-enoic acid has a molecular weight of 206.18 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-cyano-5-fluoro-3-pyridinyl)but-3-enoic acid is sourced from PubChem (CID 170483507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).