(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'}

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Related Compounds

(E)-3-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 82530341
8-chloro-6-fluoro-2-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82530570
(E)-3-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 39196018
8-chloro-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82473381
(E)-3-(6-chloro-8-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 82531076
(E)-3-(2-chloro-5-methylphenyl)prop-2-enoic acid
CID 21495548
1-(2,4-difluorophenyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
CID 76855112
(E)-3-[5-chloro-3-[(2-chloro-4-methylsulfanylphenyl)methyl]-2-methylimidazol-4-yl]prop-2-enoic acid
CID 22058667
acetic acid;1,2-dichloro-4-fluorobenzene
CID 174538740
(E)-3-[2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195829
(E)-3-(2,3,6-trimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
CID 39196124
(E)-3-(5-chloro-2-fluorophenyl)prop-2-enoic acid
CID 22292347

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).