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

C10H8N2O2 — CID 170483214

IUPAC4-(5-cyano-3-pyridinyl)but-3-enoic acid
SMILESN#Cc1cncc(C=CCC(=O)O)c1
InChIInChI=1S/C10H8N2O2/c11-5-9-4-8(6-12-7-9)2-1-3-10(13)14/h1-2,4,6-7H,3H2,(H,13,14)
InChIKeyLRHFDQWPNRXWQE-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.44
Rot. Bonds3

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

4-(5-cyano-3-pyridinyl)but-3-enoic acid (PubChem CID 170483214) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 4-(5-cyano-3-pyridinyl)but-3-enoic acid.

Molecular Properties

Compound Name4-(5-cyano-3-pyridinyl)but-3-enoic acid
PubChem CID170483214
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name4-(5-cyano-3-pyridinyl)but-3-enoic acid
SMILESN#Cc1cncc(C=CCC(=O)O)c1
InChIInChI=1S/C10H8N2O2/c11-5-9-4-8(6-12-7-9)2-1-3-10(13)14/h1-2,4,6-7H,3H2,(H,13,14)
InChIKeyLRHFDQWPNRXWQE-UHFFFAOYSA-N
XLogP1.44
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-3-pyridinyl)but-3-enoic acid?
The IUPAC name of 4-(5-cyano-3-pyridinyl)but-3-enoic acid (CID 170483214) is 4-(5-cyano-3-pyridinyl)but-3-enoic acid.
What is the SMILES notation for 4-(5-cyano-3-pyridinyl)but-3-enoic acid?
The canonical SMILES for 4-(5-cyano-3-pyridinyl)but-3-enoic acid is N#Cc1cncc(C=CCC(=O)O)c1.
What is the InChIKey of 4-(5-cyano-3-pyridinyl)but-3-enoic acid?
The InChIKey is LRHFDQWPNRXWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c11-5-9-4-8(6-12-7-9)2-1-3-10(13)14/h1-2,4,6-7H,3H2,(H,13,14).
What are the key properties of 4-(5-cyano-3-pyridinyl)but-3-enoic acid?
4-(5-cyano-3-pyridinyl)but-3-enoic acid has a molecular weight of 188.19 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-3-pyridinyl)but-3-enoic acid is sourced from PubChem (CID 170483214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).