[2-fluoro-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phosphane

C14H10F4N3P — CID 137468253

IUPAC[2-fluoro-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phosphane
SMILESCn1c(-c2cccc(F)c2P)nc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C14H10F4N3P/c1-21-12(8-3-2-4-9(15)11(8)22)20-10-5-7(14(16,17)18)6-19-13(10)21/h2-6H,22H2,1H3
InChIKeyDUYJNBDTNWBAIV-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.29
Rot. Bonds1

About [2-fluoro-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phosphane

[2-fluoro-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phosphane (PubChem CID 137468253) has the molecular formula C14H10F4N3P and a molecular weight of 327.22 g/mol. Its IUPAC name is [2-fluoro-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phosphane.

Molecular Properties

Compound Name[2-fluoro-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phosphane
PubChem CID137468253
Molecular FormulaC14H10F4N3P
Molecular Weight327.22 g/mol
Exact Mass327.05
IUPAC Name[2-fluoro-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phosphane
SMILESCn1c(-c2cccc(F)c2P)nc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C14H10F4N3P/c1-21-12(8-3-2-4-9(15)11(8)22)20-10-5-7(14(16,17)18)6-19-13(10)21/h2-6H,22H2,1H3
InChIKeyDUYJNBDTNWBAIV-UHFFFAOYSA-N
XLogP3.29
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 67981840
3-methyl-2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66600646
2-(3,6-dimethyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 149142899
3-methyl-2-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66663269
2-[4-ethylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 118148715
3-methyl-2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66600622
2-methyl-2-[5-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]propanenitrile
CID 171789668
2-ethyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-6-(trifluoromethyl)benzenethiol
CID 118035350
2-(3-ethylsulfinyl-4-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66600583
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodo-3-methylimidazo[4,5-b]pyridine
CID 90271643
3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]benzoyl chloride
CID 90382210
2-(3-ethylsulfinyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 71250990

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phosphane?
The IUPAC name of [2-fluoro-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phosphane (CID 137468253) is [2-fluoro-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phosphane.
What is the SMILES notation for [2-fluoro-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phosphane?
The canonical SMILES for [2-fluoro-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phosphane is Cn1c(-c2cccc(F)c2P)nc2cc(C(F)(F)F)cnc21.
What is the InChIKey of [2-fluoro-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phosphane?
The InChIKey is DUYJNBDTNWBAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N3P/c1-21-12(8-3-2-4-9(15)11(8)22)20-10-5-7(14(16,17)18)6-19-13(10)21/h2-6H,22H2,1H3.
What are the key properties of [2-fluoro-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phosphane?
[2-fluoro-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phosphane has a molecular weight of 327.22 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phosphane is sourced from PubChem (CID 137468253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).