(E)-3-(8-chloro-6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid

C11H8ClFN2O2 — CID 82530686

IUPAC(E)-3-(8-chloro-6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
SMILESCc1nc2c(Cl)cc(F)cn2c1/C=C/C(=O)O
InChIInChI=1S/C11H8ClFN2O2/c1-6-9(2-3-10(16)17)15-5-7(13)4-8(12)11(15)14-6/h2-5H,1H3,(H,16,17)/b3-2+
InChIKeyHRJCXGFJQPEPLB-NSCUHMNNSA-N
MW254.65 g/mol
LogP2.53
Rot. Bonds2

About (E)-3-(8-chloro-6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid

(E)-3-(8-chloro-6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid (PubChem CID 82530686) has the molecular formula C11H8ClFN2O2 and a molecular weight of 254.65 g/mol. Its IUPAC name is (E)-3-(8-chloro-6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(8-chloro-6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
PubChem CID82530686
Molecular FormulaC11H8ClFN2O2
Molecular Weight254.65 g/mol
Exact Mass254.03
IUPAC Name(E)-3-(8-chloro-6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
SMILESCc1nc2c(Cl)cc(F)cn2c1/C=C/C(=O)O
InChIInChI=1S/C11H8ClFN2O2/c1-6-9(2-3-10(16)17)15-5-7(13)4-8(12)11(15)14-6/h2-5H,1H3,(H,16,17)/b3-2+
InChIKeyHRJCXGFJQPEPLB-NSCUHMNNSA-N
XLogP2.53
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(8-chloro-6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-(8-chloro-6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(8-chloro-6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid (CID 82530686) is (E)-3-(8-chloro-6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(8-chloro-6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(8-chloro-6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid is Cc1nc2c(Cl)cc(F)cn2c1/C=C/C(=O)O.
What is the InChIKey of (E)-3-(8-chloro-6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The InChIKey is HRJCXGFJQPEPLB-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H8ClFN2O2/c1-6-9(2-3-10(16)17)15-5-7(13)4-8(12)11(15)14-6/h2-5H,1H3,(H,16,17)/b3-2+.
What are the key properties of (E)-3-(8-chloro-6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
(E)-3-(8-chloro-6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid has a molecular weight of 254.65 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(8-chloro-6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid is sourced from PubChem (CID 82530686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).