2-[3-(4-bromophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid

C14H10BrN3O2S — CID 79275334

IUPAC2-[3-(4-bromophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nc2cccnc2n1-c1ccc(Br)cc1
InChIInChI=1S/C14H10BrN3O2S/c15-9-3-5-10(6-4-9)18-13-11(2-1-7-16-13)17-14(18)21-8-12(19)20/h1-7H,8H2,(H,19,20)
InChIKeyIMFZACHZTJCIMT-UHFFFAOYSA-N
MW364.22 g/mol
LogP3.36
Rot. Bonds4

About 2-[3-(4-bromophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid

2-[3-(4-bromophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (PubChem CID 79275334) has the molecular formula C14H10BrN3O2S and a molecular weight of 364.22 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
PubChem CID79275334
Molecular FormulaC14H10BrN3O2S
Molecular Weight364.22 g/mol
Exact Mass362.97
IUPAC Name2-[3-(4-bromophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nc2cccnc2n1-c1ccc(Br)cc1
InChIInChI=1S/C14H10BrN3O2S/c15-9-3-5-10(6-4-9)18-13-11(2-1-7-16-13)17-14(18)21-8-12(19)20/h1-7H,8H2,(H,19,20)
InChIKeyIMFZACHZTJCIMT-UHFFFAOYSA-N
XLogP3.36
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)-2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3675546
2-[3-(4-methoxybutyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79289245
2-[3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79273840
2-[6-bromo-3-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79781372
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 1071935
2-[3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 107297120
2-[3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79274812
2-[[4-(4-bromophenyl)-5-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 3088140
N-(3-bromophenyl)-2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3745372
2-[3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 82728858
3-phenyl-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine
CID 139932445
N-phenyl-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
CID 66546774

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[3-(4-bromophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (CID 79275334) is 2-[3-(4-bromophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[3-(4-bromophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[3-(4-bromophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is O=C(O)CSc1nc2cccnc2n1-c1ccc(Br)cc1.
What is the InChIKey of 2-[3-(4-bromophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The InChIKey is IMFZACHZTJCIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2S/c15-9-3-5-10(6-4-9)18-13-11(2-1-7-16-13)17-14(18)21-8-12(19)20/h1-7H,8H2,(H,19,20).
What are the key properties of 2-[3-(4-bromophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
2-[3-(4-bromophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid has a molecular weight of 364.22 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 79275334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).