(E)-6-imidazo[1,5-a]pyridin-5-ylhex-2-enoic acid

C13H14N2O2 — CID 13206149

IUPAC(E)-6-imidazo[1,5-a]pyridin-5-ylhex-2-enoic acid
SMILESO=C(O)/C=C/CCCc1cccc2cncn12
InChIInChI=1S/C13H14N2O2/c16-13(17)8-3-1-2-5-11-6-4-7-12-9-14-10-15(11)12/h3-4,6-10H,1-2,5H2,(H,16,17)/b8-3+
InChIKeyFNCTXALAJPAHEL-FPYGCLRLSA-N
MW230.27 g/mol
LogP2.30
Rot. Bonds5

About (E)-6-imidazo[1,5-a]pyridin-5-ylhex-2-enoic acid

(E)-6-imidazo[1,5-a]pyridin-5-ylhex-2-enoic acid (PubChem CID 13206149) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (E)-6-imidazo[1,5-a]pyridin-5-ylhex-2-enoic acid.

Molecular Properties

Compound Name(E)-6-imidazo[1,5-a]pyridin-5-ylhex-2-enoic acid
PubChem CID13206149
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(E)-6-imidazo[1,5-a]pyridin-5-ylhex-2-enoic acid
SMILESO=C(O)/C=C/CCCc1cccc2cncn12
InChIInChI=1S/C13H14N2O2/c16-13(17)8-3-1-2-5-11-6-4-7-12-9-14-10-15(11)12/h3-4,6-10H,1-2,5H2,(H,16,17)/b8-3+
InChIKeyFNCTXALAJPAHEL-FPYGCLRLSA-N
XLogP2.30
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-6-imidazo[1,5-a]pyridin-5-ylhex-2-enoic acid?
The IUPAC name of (E)-6-imidazo[1,5-a]pyridin-5-ylhex-2-enoic acid (CID 13206149) is (E)-6-imidazo[1,5-a]pyridin-5-ylhex-2-enoic acid.
What is the SMILES notation for (E)-6-imidazo[1,5-a]pyridin-5-ylhex-2-enoic acid?
The canonical SMILES for (E)-6-imidazo[1,5-a]pyridin-5-ylhex-2-enoic acid is O=C(O)/C=C/CCCc1cccc2cncn12.
What is the InChIKey of (E)-6-imidazo[1,5-a]pyridin-5-ylhex-2-enoic acid?
The InChIKey is FNCTXALAJPAHEL-FPYGCLRLSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-13(17)8-3-1-2-5-11-6-4-7-12-9-14-10-15(11)12/h3-4,6-10H,1-2,5H2,(H,16,17)/b8-3+.
What are the key properties of (E)-6-imidazo[1,5-a]pyridin-5-ylhex-2-enoic acid?
(E)-6-imidazo[1,5-a]pyridin-5-ylhex-2-enoic acid has a molecular weight of 230.27 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-imidazo[1,5-a]pyridin-5-ylhex-2-enoic acid is sourced from PubChem (CID 13206149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).