2-[[4-(5-amino-4-fluoro-2-methylphenyl)-6-pyridin-4-yl-2-pyridinyl]oxy]ethanol

C19H18FN3O2 — CID 168928786

IUPAC2-[[4-(5-amino-4-fluoro-2-methylphenyl)-6-pyridin-4-yl-2-pyridinyl]oxy]ethanol
SMILESCc1cc(F)c(N)cc1-c1cc(OCCO)nc(-c2ccncc2)c1
InChIInChI=1S/C19H18FN3O2/c1-12-8-16(20)17(21)11-15(12)14-9-18(13-2-4-22-5-3-13)23-19(10-14)25-7-6-24/h2-5,8-11,24H,6-7,21H2,1H3
InChIKeySXNWZCGODHDIHF-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.21
Rot. Bonds5

About 2-[[4-(5-amino-4-fluoro-2-methylphenyl)-6-pyridin-4-yl-2-pyridinyl]oxy]ethanol

2-[[4-(5-amino-4-fluoro-2-methylphenyl)-6-pyridin-4-yl-2-pyridinyl]oxy]ethanol (PubChem CID 168928786) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[[4-(5-amino-4-fluoro-2-methylphenyl)-6-pyridin-4-yl-2-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[4-(5-amino-4-fluoro-2-methylphenyl)-6-pyridin-4-yl-2-pyridinyl]oxy]ethanol
PubChem CID168928786
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name2-[[4-(5-amino-4-fluoro-2-methylphenyl)-6-pyridin-4-yl-2-pyridinyl]oxy]ethanol
SMILESCc1cc(F)c(N)cc1-c1cc(OCCO)nc(-c2ccncc2)c1
InChIInChI=1S/C19H18FN3O2/c1-12-8-16(20)17(21)11-15(12)14-9-18(13-2-4-22-5-3-13)23-19(10-14)25-7-6-24/h2-5,8-11,24H,6-7,21H2,1H3
InChIKeySXNWZCGODHDIHF-UHFFFAOYSA-N
XLogP3.21
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[4-(5-amino-4-fluoro-2-methylphenyl)-6-pyridin-4-yl-2-pyridinyl]oxy]ethanol with MolForge

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Related Compounds

4-[4-(5-amino-4-fluoro-2-methylphenyl)-6-(2-hydroxyethoxy)-2-pyridinyl]-1H-pyridin-2-one;formaldehyde;formamide;methanamine;(2S)-2-methyloxetane
CID 168928755
2-[[4-(5-amino-2-methyl-3-pyridinyl)-6-(2-methoxy-4-pyridinyl)-2-pyridinyl]oxy]ethanol
CID 168928761
2-[[4-(5-amino-2-methyl-3-pyridinyl)-6-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]ethanol
CID 168928493
N-[4-[4-[5-(ethylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide
CID 168928337
2-[[4-[4-fluoro-2-methyl-5-(2-oxaspiro[3.3]heptan-6-ylamino)phenyl]-6-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2-pyridinyl]oxy]ethanol
CID 168928610
N-[5-[2-ethoxy-6-(2-methyl-4-pyridinyl)-4-pyridinyl]-2-fluoro-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;formamide
CID 168929574
1-[5-[2-chloro-6-(2-hydroxyethoxy)-4-pyridinyl]-2-fluoro-4-methylphenyl]-3-ethylurea
CID 168928664
4-[6-(5-amino-4-fluoro-2-methylphenyl)pyridazin-4-yl]-N-methylpyridine-2-carboxamide
CID 168928827
2-[(4-amino-5-methyl-2-pyridinyl)oxy]ethanol
CID 83266577
2-fluoro-4-(6-fluoro-3-pyridinyl)-5-methylaniline
CID 172564495
4-methyl-5-pyridin-4-yl-2-(2,4,5-trifluorophenyl)pyridine
CID 168822121
4-[4-(5-amino-4-fluoro-2-methylphenyl)-6-ethoxypyrimidin-2-yl]-N-methylpyridin-2-amine;3-fluoro-3-methylbutan-1-amine;formaldehyde;formic acid
CID 168928901

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-amino-4-fluoro-2-methylphenyl)-6-pyridin-4-yl-2-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[4-(5-amino-4-fluoro-2-methylphenyl)-6-pyridin-4-yl-2-pyridinyl]oxy]ethanol (CID 168928786) is 2-[[4-(5-amino-4-fluoro-2-methylphenyl)-6-pyridin-4-yl-2-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[4-(5-amino-4-fluoro-2-methylphenyl)-6-pyridin-4-yl-2-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[4-(5-amino-4-fluoro-2-methylphenyl)-6-pyridin-4-yl-2-pyridinyl]oxy]ethanol is Cc1cc(F)c(N)cc1-c1cc(OCCO)nc(-c2ccncc2)c1.
What is the InChIKey of 2-[[4-(5-amino-4-fluoro-2-methylphenyl)-6-pyridin-4-yl-2-pyridinyl]oxy]ethanol?
The InChIKey is SXNWZCGODHDIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-12-8-16(20)17(21)11-15(12)14-9-18(13-2-4-22-5-3-13)23-19(10-14)25-7-6-24/h2-5,8-11,24H,6-7,21H2,1H3.
What are the key properties of 2-[[4-(5-amino-4-fluoro-2-methylphenyl)-6-pyridin-4-yl-2-pyridinyl]oxy]ethanol?
2-[[4-(5-amino-4-fluoro-2-methylphenyl)-6-pyridin-4-yl-2-pyridinyl]oxy]ethanol has a molecular weight of 339.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-amino-4-fluoro-2-methylphenyl)-6-pyridin-4-yl-2-pyridinyl]oxy]ethanol is sourced from PubChem (CID 168928786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).