4,6-bis(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine

C9H6F4N2O — CID 44823829

IUPAC4,6-bis(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1noc2nc(C(F)F)cc(C(F)F)c12
InChIInChI=1S/C9H6F4N2O/c1-3-6-4(7(10)11)2-5(8(12)13)14-9(6)16-15-3/h2,7-8H,1H3
InChIKeyPEWHHSKSYHMVPC-UHFFFAOYSA-N
MW234.15 g/mol
LogP3.41
Rot. Bonds2

About 4,6-bis(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine

4,6-bis(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 44823829) has the molecular formula C9H6F4N2O and a molecular weight of 234.15 g/mol. Its IUPAC name is 4,6-bis(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4,6-bis(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine
PubChem CID44823829
Molecular FormulaC9H6F4N2O
Molecular Weight234.15 g/mol
Exact Mass234.04
IUPAC Name4,6-bis(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1noc2nc(C(F)F)cc(C(F)F)c12
InChIInChI=1S/C9H6F4N2O/c1-3-6-4(7(10)11)2-5(8(12)13)14-9(6)16-15-3/h2,7-8H,1H3
InChIKeyPEWHHSKSYHMVPC-UHFFFAOYSA-N
XLogP3.41
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.15
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 4,6-bis(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine (CID 44823829) is 4,6-bis(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 4,6-bis(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 4,6-bis(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine is Cc1noc2nc(C(F)F)cc(C(F)F)c12.
What is the InChIKey of 4,6-bis(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is PEWHHSKSYHMVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4N2O/c1-3-6-4(7(10)11)2-5(8(12)13)14-9(6)16-15-3/h2,7-8H,1H3.
What are the key properties of 4,6-bis(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
4,6-bis(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 234.15 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 44823829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).