2,2-difluoro-1-imidazo[1,2-a]pyridin-3-yl-2-pyridin-2-ylsulfanylethanone

C14H9F2N3OS — CID 11266716

IUPAC2,2-difluoro-1-imidazo[1,2-a]pyridin-3-yl-2-pyridin-2-ylsulfanylethanone
SMILESO=C(c1cnc2ccccn12)C(F)(F)Sc1ccccn1
InChIInChI=1S/C14H9F2N3OS/c15-14(16,21-12-6-1-3-7-17-12)13(20)10-9-18-11-5-2-4-8-19(10)11/h1-9H
InChIKeyKTWNCFBBRJTVLX-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.30
Rot. Bonds4

About 2,2-difluoro-1-imidazo[1,2-a]pyridin-3-yl-2-pyridin-2-ylsulfanylethanone

2,2-difluoro-1-imidazo[1,2-a]pyridin-3-yl-2-pyridin-2-ylsulfanylethanone (PubChem CID 11266716) has the molecular formula C14H9F2N3OS and a molecular weight of 305.31 g/mol. Its IUPAC name is 2,2-difluoro-1-imidazo[1,2-a]pyridin-3-yl-2-pyridin-2-ylsulfanylethanone.

Molecular Properties

Compound Name2,2-difluoro-1-imidazo[1,2-a]pyridin-3-yl-2-pyridin-2-ylsulfanylethanone
PubChem CID11266716
Molecular FormulaC14H9F2N3OS
Molecular Weight305.31 g/mol
Exact Mass305.04
IUPAC Name2,2-difluoro-1-imidazo[1,2-a]pyridin-3-yl-2-pyridin-2-ylsulfanylethanone
SMILESO=C(c1cnc2ccccn12)C(F)(F)Sc1ccccn1
InChIInChI=1S/C14H9F2N3OS/c15-14(16,21-12-6-1-3-7-17-12)13(20)10-9-18-11-5-2-4-8-19(10)11/h1-9H
InChIKeyKTWNCFBBRJTVLX-UHFFFAOYSA-N
XLogP3.30
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-imidazo[1,2-a]pyridin-3-yl-2-pyridin-2-ylsulfanylethanone?
The IUPAC name of 2,2-difluoro-1-imidazo[1,2-a]pyridin-3-yl-2-pyridin-2-ylsulfanylethanone (CID 11266716) is 2,2-difluoro-1-imidazo[1,2-a]pyridin-3-yl-2-pyridin-2-ylsulfanylethanone.
What is the SMILES notation for 2,2-difluoro-1-imidazo[1,2-a]pyridin-3-yl-2-pyridin-2-ylsulfanylethanone?
The canonical SMILES for 2,2-difluoro-1-imidazo[1,2-a]pyridin-3-yl-2-pyridin-2-ylsulfanylethanone is O=C(c1cnc2ccccn12)C(F)(F)Sc1ccccn1.
What is the InChIKey of 2,2-difluoro-1-imidazo[1,2-a]pyridin-3-yl-2-pyridin-2-ylsulfanylethanone?
The InChIKey is KTWNCFBBRJTVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3OS/c15-14(16,21-12-6-1-3-7-17-12)13(20)10-9-18-11-5-2-4-8-19(10)11/h1-9H.
What are the key properties of 2,2-difluoro-1-imidazo[1,2-a]pyridin-3-yl-2-pyridin-2-ylsulfanylethanone?
2,2-difluoro-1-imidazo[1,2-a]pyridin-3-yl-2-pyridin-2-ylsulfanylethanone has a molecular weight of 305.31 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-imidazo[1,2-a]pyridin-3-yl-2-pyridin-2-ylsulfanylethanone is sourced from PubChem (CID 11266716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).