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

C11H9ClN2O2 — CID 82531076

IUPAC(E)-3-(6-chloro-8-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
SMILESCc1cc(Cl)cn2c(/C=C/C(=O)O)cnc12
InChIInChI=1S/C11H9ClN2O2/c1-7-4-8(12)6-14-9(2-3-10(15)16)5-13-11(7)14/h2-6H,1H3,(H,15,16)/b3-2+
InChIKeyAXLYVWVQRFDKDP-NSCUHMNNSA-N
MW236.66 g/mol
LogP2.39
Rot. Bonds2

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

(E)-3-(6-chloro-8-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid (PubChem CID 82531076) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is (E)-3-(6-chloro-8-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(6-chloro-8-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
PubChem CID82531076
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name(E)-3-(6-chloro-8-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
SMILESCc1cc(Cl)cn2c(/C=C/C(=O)O)cnc12
InChIInChI=1S/C11H9ClN2O2/c1-7-4-8(12)6-14-9(2-3-10(15)16)5-13-11(7)14/h2-6H,1H3,(H,15,16)/b3-2+
InChIKeyAXLYVWVQRFDKDP-NSCUHMNNSA-N
XLogP2.39
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.39
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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Related Compounds

3-(2,3-dimethylimidazol-4-yl)prop-2-enoic acid
CID 66913319
1-(6-chloro-8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-ol
CID 82531093
(E)-3-(8-bromoimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 82529321
(E)-3-(5-chloro-2-fluoro-3-methylphenyl)prop-2-enoic acid
CID 131239065
(E)-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 82530339
(E)-3-(8-chloro-6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 82530686
(E)-3-(2-chloro-1,3-thiazol-5-yl)prop-2-enoic acid
CID 68877521
(E)-3-(1-ethyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)prop-2-enoic acid
CID 143445377
(E)-3-[6-(4-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 80638498
3-(5-chloro-2-methylphenyl)prop-2-enoic acid
CID 54186583
(E)-3-(4-chloro-3-methylphenyl)prop-2-enoic acid
CID 21190486
(Z)-3-(5-chloro-2-ethoxy-3-methylphenyl)prop-2-enoic acid
CID 83969113

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-chloro-8-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(6-chloro-8-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid (CID 82531076) is (E)-3-(6-chloro-8-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(6-chloro-8-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(6-chloro-8-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid is Cc1cc(Cl)cn2c(/C=C/C(=O)O)cnc12.
What is the InChIKey of (E)-3-(6-chloro-8-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The InChIKey is AXLYVWVQRFDKDP-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-7-4-8(12)6-14-9(2-3-10(15)16)5-13-11(7)14/h2-6H,1H3,(H,15,16)/b3-2+.
What are the key properties of (E)-3-(6-chloro-8-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
(E)-3-(6-chloro-8-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid has a molecular weight of 236.66 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-chloro-8-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid is sourced from PubChem (CID 82531076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).