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

C11H9FN2O2 — CID 82530341

IUPAC(E)-3-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
SMILESCc1nc2ccc(F)cn2c1/C=C/C(=O)O
InChIInChI=1S/C11H9FN2O2/c1-7-9(3-5-11(15)16)14-6-8(12)2-4-10(14)13-7/h2-6H,1H3,(H,15,16)/b5-3+
InChIKeyYQTBDBANDWXSFQ-HWKANZROSA-N
MW220.20 g/mol
LogP1.88
Rot. Bonds2

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

(E)-3-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid (PubChem CID 82530341) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is (E)-3-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
PubChem CID82530341
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name(E)-3-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
SMILESCc1nc2ccc(F)cn2c1/C=C/C(=O)O
InChIInChI=1S/C11H9FN2O2/c1-7-9(3-5-11(15)16)14-6-8(12)2-4-10(14)13-7/h2-6H,1H3,(H,15,16)/b5-3+
InChIKeyYQTBDBANDWXSFQ-HWKANZROSA-N
XLogP1.88
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.88
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-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 39196018
(E)-3-(8-chloro-6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 82530686
(E)-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 82530339
6-fluoro-2-methylimidazo[1,2-a]pyridin-3-amine
CID 63616620
(E)-3-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 39195917
(E)-3-[6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39196008
3-[6-bromo-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 2756936
(Z)-3-[6-bromo-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 92908070
7-fluoro-2-methyl-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one
CID 135032907
1-(2,4-difluorophenyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
CID 76855112
2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 82530388
(E)-3-[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]prop-2-enoic acid
CID 82295029

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid (CID 82530341) is (E)-3-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid is Cc1nc2ccc(F)cn2c1/C=C/C(=O)O.
What is the InChIKey of (E)-3-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The InChIKey is YQTBDBANDWXSFQ-HWKANZROSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-7-9(3-5-11(15)16)14-6-8(12)2-4-10(14)13-7/h2-6H,1H3,(H,15,16)/b5-3+.
What are the key properties of (E)-3-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
(E)-3-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid has a molecular weight of 220.20 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid is sourced from PubChem (CID 82530341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).