[6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methanol

C18H12F4N2O — CID 20596521

IUPAC[6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methanol
SMILESOCc1ccc(Nc2c(F)cccc2F)nc1-c1ccc(F)cc1F
InChIInChI=1S/C18H12F4N2O/c19-11-5-6-12(15(22)8-11)17-10(9-25)4-7-16(23-17)24-18-13(20)2-1-3-14(18)21/h1-8,25H,9H2,(H,23,24)
InChIKeyNFHGYLPJFQQXDV-UHFFFAOYSA-N
MW348.30 g/mol
LogP4.54
Rot. Bonds4

About [6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methanol

[6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methanol (PubChem CID 20596521) has the molecular formula C18H12F4N2O and a molecular weight of 348.30 g/mol. Its IUPAC name is [6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methanol
PubChem CID20596521
Molecular FormulaC18H12F4N2O
Molecular Weight348.30 g/mol
Exact Mass348.09
IUPAC Name[6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methanol
SMILESOCc1ccc(Nc2c(F)cccc2F)nc1-c1ccc(F)cc1F
InChIInChI=1S/C18H12F4N2O/c19-11-5-6-12(15(22)8-11)17-10(9-25)4-7-16(23-17)24-18-13(20)2-1-3-14(18)21/h1-8,25H,9H2,(H,23,24)
InChIKeyNFHGYLPJFQQXDV-UHFFFAOYSA-N
XLogP4.54
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methanol?
The IUPAC name of [6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methanol (CID 20596521) is [6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methanol.
What is the SMILES notation for [6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methanol?
The canonical SMILES for [6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methanol is OCc1ccc(Nc2c(F)cccc2F)nc1-c1ccc(F)cc1F.
What is the InChIKey of [6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methanol?
The InChIKey is NFHGYLPJFQQXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N2O/c19-11-5-6-12(15(22)8-11)17-10(9-25)4-7-16(23-17)24-18-13(20)2-1-3-14(18)21/h1-8,25H,9H2,(H,23,24).
What are the key properties of [6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methanol?
[6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methanol has a molecular weight of 348.30 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methanol is sourced from PubChem (CID 20596521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).