2-[1-(4-iodophenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid

C14H10IN3O2S — CID 79271520

IUPAC2-[1-(4-iodophenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nc2cnccc2n1-c1ccc(I)cc1
InChIInChI=1S/C14H10IN3O2S/c15-9-1-3-10(4-2-9)18-12-5-6-16-7-11(12)17-14(18)21-8-13(19)20/h1-7H,8H2,(H,19,20)
InChIKeyFHTICAXSZZEGCD-UHFFFAOYSA-N
MW411.22 g/mol
LogP3.20
Rot. Bonds4

About 2-[1-(4-iodophenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid

2-[1-(4-iodophenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid (PubChem CID 79271520) has the molecular formula C14H10IN3O2S and a molecular weight of 411.22 g/mol. Its IUPAC name is 2-[1-(4-iodophenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(4-iodophenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
PubChem CID79271520
Molecular FormulaC14H10IN3O2S
Molecular Weight411.22 g/mol
Exact Mass410.95
IUPAC Name2-[1-(4-iodophenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nc2cnccc2n1-c1ccc(I)cc1
InChIInChI=1S/C14H10IN3O2S/c15-9-1-3-10(4-2-9)18-12-5-6-16-7-11(12)17-14(18)21-8-13(19)20/h1-7H,8H2,(H,19,20)
InChIKeyFHTICAXSZZEGCD-UHFFFAOYSA-N
XLogP3.20
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.22
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-1H-imidazo[4,5-c]pyridine
CID 5328473
(2-Pyridin-2-yl-1H-benzimidazol-1-yl)acetic acid
CID 3164138
[2-(Ethylthio)-1H-benzimidazol-1-yl]acetic acid
CID 675052
(1-Ethyl-1H-benzoimidazol-2-ylsulfanyl)-acetic acid
CID 720898
2-[(1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid
CID 796323
Ethyl 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate
CID 3214182
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-methylpyrimidin-2-yl)acetamide
CID 4880453
{[(3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl)methyl]thio}acetic acid
CID 20955361
2-((1-Phenyl-1H-benzo[d]imidazol-2-yl)thio)acetic acid
CID 817611
3-(2-Ethylsulfanyl-benzoimidazol-1-yl)-propionic acid
CID 647924
(3-Cyclohexyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetic acid isopropyl ester
CID 656322
2-[(1-propyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid
CID 807738

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-iodophenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(4-iodophenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid (CID 79271520) is 2-[1-(4-iodophenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(4-iodophenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(4-iodophenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid is O=C(O)CSc1nc2cnccc2n1-c1ccc(I)cc1.
What is the InChIKey of 2-[1-(4-iodophenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
The InChIKey is FHTICAXSZZEGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10IN3O2S/c15-9-1-3-10(4-2-9)18-12-5-6-16-7-11(12)17-14(18)21-8-13(19)20/h1-7H,8H2,(H,19,20).
What are the key properties of 2-[1-(4-iodophenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
2-[1-(4-iodophenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid has a molecular weight of 411.22 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-iodophenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 79271520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).