[4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl] hypofluorite

C13H8F4N4O — CID 66614315

IUPAC[4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl] hypofluorite
SMILESCn1c(-c2ccncc2OF)nc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C13H8F4N4O/c1-21-11(8-2-3-18-6-10(8)22-17)20-9-4-7(13(14,15)16)5-19-12(9)21/h2-6H,1H3
InChIKeyNAGMWOKAPHRHPR-UHFFFAOYSA-N
MW312.23 g/mol
LogP3.31
Rot. Bonds2

About [4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl] hypofluorite

[4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl] hypofluorite (PubChem CID 66614315) has the molecular formula C13H8F4N4O and a molecular weight of 312.23 g/mol. Its IUPAC name is [4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl] hypofluorite.

Molecular Properties

Compound Name[4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl] hypofluorite
PubChem CID66614315
Molecular FormulaC13H8F4N4O
Molecular Weight312.23 g/mol
Exact Mass312.06
IUPAC Name[4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl] hypofluorite
SMILESCn1c(-c2ccncc2OF)nc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C13H8F4N4O/c1-21-11(8-2-3-18-6-10(8)22-17)20-9-4-7(13(14,15)16)5-19-12(9)21/h2-6H,1H3
InChIKeyNAGMWOKAPHRHPR-UHFFFAOYSA-N
XLogP3.31
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl] hypofluorite?
The IUPAC name of [4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl] hypofluorite (CID 66614315) is [4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl] hypofluorite.
What is the SMILES notation for [4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl] hypofluorite?
The canonical SMILES for [4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl] hypofluorite is Cn1c(-c2ccncc2OF)nc2cc(C(F)(F)F)cnc21.
What is the InChIKey of [4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl] hypofluorite?
The InChIKey is NAGMWOKAPHRHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4N4O/c1-21-11(8-2-3-18-6-10(8)22-17)20-9-4-7(13(14,15)16)5-19-12(9)21/h2-6H,1H3.
What are the key properties of [4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl] hypofluorite?
[4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl] hypofluorite has a molecular weight of 312.23 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl] hypofluorite is sourced from PubChem (CID 66614315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).