1-(4-chloro-3-fluorophenyl)-2-[(6-fluoro-2-pyridinyl)amino]ethanol

C13H11ClF2N2O — CID 133411980

IUPAC1-(4-chloro-3-fluorophenyl)-2-[(6-fluoro-2-pyridinyl)amino]ethanol
SMILESOC(CNc1cccc(F)n1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H11ClF2N2O/c14-9-5-4-8(6-10(9)15)11(19)7-17-13-3-1-2-12(16)18-13/h1-6,11,19H,7H2,(H,17,18)
InChIKeyOYLWQRPOAYVQJT-UHFFFAOYSA-N
MW284.69 g/mol
LogP3.16
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-2-[(6-fluoro-2-pyridinyl)amino]ethanol

1-(4-chloro-3-fluorophenyl)-2-[(6-fluoro-2-pyridinyl)amino]ethanol (PubChem CID 133411980) has the molecular formula C13H11ClF2N2O and a molecular weight of 284.69 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-2-[(6-fluoro-2-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-2-[(6-fluoro-2-pyridinyl)amino]ethanol
PubChem CID133411980
Molecular FormulaC13H11ClF2N2O
Molecular Weight284.69 g/mol
Exact Mass284.05
IUPAC Name1-(4-chloro-3-fluorophenyl)-2-[(6-fluoro-2-pyridinyl)amino]ethanol
SMILESOC(CNc1cccc(F)n1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H11ClF2N2O/c14-9-5-4-8(6-10(9)15)11(19)7-17-13-3-1-2-12(16)18-13/h1-6,11,19H,7H2,(H,17,18)
InChIKeyOYLWQRPOAYVQJT-UHFFFAOYSA-N
XLogP3.16
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(4-chloro-3-fluorophenyl)ethanol
CID 133430921
1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 62773520
1-(4-chloro-3-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]ethanol
CID 133411967
1-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 133430857
(1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(3,4-difluorophenyl)ethanol
CID 36790047
(1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol
CID 97286939
6-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133430962
2-[(2-chloropyrimidin-4-yl)amino]-1-(3-fluorophenyl)ethanol
CID 87727171
1-(4-chloro-3-fluorophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol
CID 133412013
(1S)-1-(4-chloro-3-fluorophenyl)propane-1,3-diol
CID 86696659
1-(4-chloro-3-fluorophenyl)-2-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 133430861
N-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 97248769

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-[(6-fluoro-2-pyridinyl)amino]ethanol?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-[(6-fluoro-2-pyridinyl)amino]ethanol (CID 133411980) is 1-(4-chloro-3-fluorophenyl)-2-[(6-fluoro-2-pyridinyl)amino]ethanol.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-2-[(6-fluoro-2-pyridinyl)amino]ethanol?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-2-[(6-fluoro-2-pyridinyl)amino]ethanol is OC(CNc1cccc(F)n1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-2-[(6-fluoro-2-pyridinyl)amino]ethanol?
The InChIKey is OYLWQRPOAYVQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O/c14-9-5-4-8(6-10(9)15)11(19)7-17-13-3-1-2-12(16)18-13/h1-6,11,19H,7H2,(H,17,18).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-2-[(6-fluoro-2-pyridinyl)amino]ethanol?
1-(4-chloro-3-fluorophenyl)-2-[(6-fluoro-2-pyridinyl)amino]ethanol has a molecular weight of 284.69 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-2-[(6-fluoro-2-pyridinyl)amino]ethanol is sourced from PubChem (CID 133411980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).