4-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid

C15H11FN2O2S — CID 80554638

IUPAC4-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid
SMILESO=C(O)c1ccc(F)c(SCc2cn3ccccc3n2)c1
InChIInChI=1S/C15H11FN2O2S/c16-12-5-4-10(15(19)20)7-13(12)21-9-11-8-18-6-2-1-3-14(18)17-11/h1-8H,9H2,(H,19,20)
InChIKeyBLNLGVHNURUSMO-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.46
Rot. Bonds4

About 4-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid

4-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid (PubChem CID 80554638) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid
PubChem CID80554638
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name4-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid
SMILESO=C(O)c1ccc(F)c(SCc2cn3ccccc3n2)c1
InChIInChI=1S/C15H11FN2O2S/c16-12-5-4-10(15(19)20)7-13(12)21-9-11-8-18-6-2-1-3-14(18)17-11/h1-8H,9H2,(H,19,20)
InChIKeyBLNLGVHNURUSMO-UHFFFAOYSA-N
XLogP3.46
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 32742009
N-(2-fluoro-5-methylphenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 31406631
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 51335280
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzoic acid
CID 60698887
N-[cyano-(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 56572139
[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 31405038
4-fluoro-3-(furan-3-ylmethylsulfanyl)benzoic acid
CID 83172369
3-[(4-chloro-2-pyridinyl)methylsulfanyl]-4-fluorobenzoic acid
CID 80557227
N-(2-chloro-4-fluorophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 55515874
1-[4-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 55564297
N-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 31702932
3-[(2,3-difluorophenyl)methylsulfanyl]-4-fluorobenzoic acid
CID 80556469

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid?
The IUPAC name of 4-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid (CID 80554638) is 4-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid.
What is the SMILES notation for 4-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid?
The canonical SMILES for 4-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid is O=C(O)c1ccc(F)c(SCc2cn3ccccc3n2)c1.
What is the InChIKey of 4-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid?
The InChIKey is BLNLGVHNURUSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c16-12-5-4-10(15(19)20)7-13(12)21-9-11-8-18-6-2-1-3-14(18)17-11/h1-8H,9H2,(H,19,20).
What are the key properties of 4-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid?
4-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid has a molecular weight of 302.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid is sourced from PubChem (CID 80554638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).