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

C14H9ClN2O2S — CID 39196006

IUPAC(E)-3-(6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1c(-c2cccs2)nc2ccc(Cl)cn12
InChIInChI=1S/C14H9ClN2O2S/c15-9-3-5-12-16-14(11-2-1-7-20-11)10(17(12)8-9)4-6-13(18)19/h1-8H,(H,18,19)/b6-4+
InChIKeyCTUSEWXYGCWKDR-GQCTYLIASA-N
MW304.76 g/mol
LogP3.81
Rot. Bonds3

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

(E)-3-(6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid (PubChem CID 39196006) has the molecular formula C14H9ClN2O2S and a molecular weight of 304.76 g/mol. Its IUPAC name is (E)-3-(6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
PubChem CID39196006
Molecular FormulaC14H9ClN2O2S
Molecular Weight304.76 g/mol
Exact Mass304.01
IUPAC Name(E)-3-(6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1c(-c2cccs2)nc2ccc(Cl)cn12
InChIInChI=1S/C14H9ClN2O2S/c15-9-3-5-12-16-14(11-2-1-7-20-11)10(17(12)8-9)4-6-13(18)19/h1-8H,(H,18,19)/b6-4+
InChIKeyCTUSEWXYGCWKDR-GQCTYLIASA-N
XLogP3.81
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(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
1-(6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)propan-1-ol
CID 82029571
4-chloro-N-(6-iodo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 166636339
1-[(6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate
CID 40638712
4-chloro-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 979718
(E)-3-[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023768
(E)-3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one
CID 10206708
(E)-3-(6-methyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
CID 39196288
(E)-3-[2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195829
2-chloro-5-methyl-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82119973
6-chloro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 117130230

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid (CID 39196006) is (E)-3-(6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid is O=C(O)/C=C/c1c(-c2cccs2)nc2ccc(Cl)cn12.
What is the InChIKey of (E)-3-(6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The InChIKey is CTUSEWXYGCWKDR-GQCTYLIASA-N. The full InChI is InChI=1S/C14H9ClN2O2S/c15-9-3-5-12-16-14(11-2-1-7-20-11)10(17(12)8-9)4-6-13(18)19/h1-8H,(H,18,19)/b6-4+.
What are the key properties of (E)-3-(6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
(E)-3-(6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid has a molecular weight of 304.76 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid is sourced from PubChem (CID 39196006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).