(E)-3-[2-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid

C11H6ClF3N2O2 — CID 82530136

IUPAC(E)-3-[2-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1c(Cl)nc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C11H6ClF3N2O2/c12-10-7(1-2-9(18)19)17-4-3-6(11(13,14)15)5-8(17)16-10/h1-5H,(H,18,19)/b2-1+
InChIKeyOODPHWHWMBJAND-OWOJBTEDSA-N
MW290.63 g/mol
LogP3.10
Rot. Bonds2

About (E)-3-[2-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid

(E)-3-[2-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid (PubChem CID 82530136) has the molecular formula C11H6ClF3N2O2 and a molecular weight of 290.63 g/mol. Its IUPAC name is (E)-3-[2-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[2-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
PubChem CID82530136
Molecular FormulaC11H6ClF3N2O2
Molecular Weight290.63 g/mol
Exact Mass290.01
IUPAC Name(E)-3-[2-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1c(Cl)nc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C11H6ClF3N2O2/c12-10-7(1-2-9(18)19)17-4-3-6(11(13,14)15)5-8(17)16-10/h1-5H,(H,18,19)/b2-1+
InChIKeyOODPHWHWMBJAND-OWOJBTEDSA-N
XLogP3.10
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.63
LogP ≤ 53.10
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 (E)-3-[2-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The IUPAC name of (E)-3-[2-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid (CID 82530136) is (E)-3-[2-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[2-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[2-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is O=C(O)/C=C/c1c(Cl)nc2cc(C(F)(F)F)ccn12.
What is the InChIKey of (E)-3-[2-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The InChIKey is OODPHWHWMBJAND-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H6ClF3N2O2/c12-10-7(1-2-9(18)19)17-4-3-6(11(13,14)15)5-8(17)16-10/h1-5H,(H,18,19)/b2-1+.
What are the key properties of (E)-3-[2-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
(E)-3-[2-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid has a molecular weight of 290.63 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is sourced from PubChem (CID 82530136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).