2-[6-chloro-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid

C10H8ClF2N3O2S — CID 113303862

IUPAC2-[6-chloro-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nc2cc(Cl)cnc2n1CC(F)F
InChIInChI=1S/C10H8ClF2N3O2S/c11-5-1-6-9(14-2-5)16(3-7(12)13)10(15-6)19-4-8(17)18/h1-2,7H,3-4H2,(H,17,18)
InChIKeyKGHQCXKOIRVULC-UHFFFAOYSA-N
MW307.71 g/mol
LogP2.53
Rot. Bonds5

About 2-[6-chloro-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid

2-[6-chloro-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (PubChem CID 113303862) has the molecular formula C10H8ClF2N3O2S and a molecular weight of 307.71 g/mol. Its IUPAC name is 2-[6-chloro-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[6-chloro-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
PubChem CID113303862
Molecular FormulaC10H8ClF2N3O2S
Molecular Weight307.71 g/mol
Exact Mass307.00
IUPAC Name2-[6-chloro-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nc2cc(Cl)cnc2n1CC(F)F
InChIInChI=1S/C10H8ClF2N3O2S/c11-5-1-6-9(14-2-5)16(3-7(12)13)10(15-6)19-4-8(17)18/h1-2,7H,3-4H2,(H,17,18)
InChIKeyKGHQCXKOIRVULC-UHFFFAOYSA-N
XLogP2.53
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[6-chloro-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (CID 113303862) is 2-[6-chloro-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[6-chloro-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[6-chloro-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is O=C(O)CSc1nc2cc(Cl)cnc2n1CC(F)F.
What is the InChIKey of 2-[6-chloro-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The InChIKey is KGHQCXKOIRVULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2N3O2S/c11-5-1-6-9(14-2-5)16(3-7(12)13)10(15-6)19-4-8(17)18/h1-2,7H,3-4H2,(H,17,18).
What are the key properties of 2-[6-chloro-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
2-[6-chloro-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid has a molecular weight of 307.71 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 113303862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).