1-(2,5-difluorophenyl)-2-(3-pyridin-3-ylanilino)ethanol

C19H16F2N2O — CID 167854859

IUPAC1-(2,5-difluorophenyl)-2-(3-pyridin-3-ylanilino)ethanol
SMILESOC(CNc1cccc(-c2cccnc2)c1)c1cc(F)ccc1F
InChIInChI=1S/C19H16F2N2O/c20-15-6-7-18(21)17(10-15)19(24)12-23-16-5-1-3-13(9-16)14-4-2-8-22-11-14/h1-11,19,23-24H,12H2
InChIKeyQAKPZQJAWOLFIF-UHFFFAOYSA-N
MW326.35 g/mol
LogP4.17
Rot. Bonds5

About 1-(2,5-difluorophenyl)-2-(3-pyridin-3-ylanilino)ethanol

1-(2,5-difluorophenyl)-2-(3-pyridin-3-ylanilino)ethanol (PubChem CID 167854859) has the molecular formula C19H16F2N2O and a molecular weight of 326.35 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(3-pyridin-3-ylanilino)ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(3-pyridin-3-ylanilino)ethanol
PubChem CID167854859
Molecular FormulaC19H16F2N2O
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name1-(2,5-difluorophenyl)-2-(3-pyridin-3-ylanilino)ethanol
SMILESOC(CNc1cccc(-c2cccnc2)c1)c1cc(F)ccc1F
InChIInChI=1S/C19H16F2N2O/c20-15-6-7-18(21)17(10-15)19(24)12-23-16-5-1-3-13(9-16)14-4-2-8-22-11-14/h1-11,19,23-24H,12H2
InChIKeyQAKPZQJAWOLFIF-UHFFFAOYSA-N
XLogP4.17
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-1-(2,5-difluorophenyl)ethanol
CID 55026297
1-(2,5-difluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62811175
1-(2,5-difluorophenyl)-3-pyridin-3-ylpropan-1-ol
CID 105094895
2-(4-bromo-3-chloroanilino)-1-(2,5-difluorophenyl)ethanol
CID 107619841
2-(1,3-benzodioxol-5-ylamino)-1-(2,5-difluorophenyl)ethanol
CID 60901510
1-(2,5-difluorophenyl)-2-(2,4,5-trifluoroanilino)ethanol
CID 62815556
1-(2-fluorophenyl)-2-(3-methoxyanilino)ethanol
CID 60900716
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
3-(4-fluoro-3-propan-2-ylphenyl)pyridine
CID 83381583
2-(2,6-difluoro-3-methylanilino)-1-(2,5-difluorophenyl)ethanol
CID 82801499
1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol
CID 82045084
3-amino-1-(2,5-difluorophenyl)-2-pyridin-3-ylpropan-1-ol
CID 80523241

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(3-pyridin-3-ylanilino)ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(3-pyridin-3-ylanilino)ethanol (CID 167854859) is 1-(2,5-difluorophenyl)-2-(3-pyridin-3-ylanilino)ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(3-pyridin-3-ylanilino)ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(3-pyridin-3-ylanilino)ethanol is OC(CNc1cccc(-c2cccnc2)c1)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(3-pyridin-3-ylanilino)ethanol?
The InChIKey is QAKPZQJAWOLFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O/c20-15-6-7-18(21)17(10-15)19(24)12-23-16-5-1-3-13(9-16)14-4-2-8-22-11-14/h1-11,19,23-24H,12H2.
What are the key properties of 1-(2,5-difluorophenyl)-2-(3-pyridin-3-ylanilino)ethanol?
1-(2,5-difluorophenyl)-2-(3-pyridin-3-ylanilino)ethanol has a molecular weight of 326.35 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(3-pyridin-3-ylanilino)ethanol is sourced from PubChem (CID 167854859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).