1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethanol

C16H13FN2O — CID 105107049

IUPAC1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethanol
SMILESOC(Cc1ccnc2ccccc12)c1cncc(F)c1
InChIInChI=1S/C16H13FN2O/c17-13-7-12(9-18-10-13)16(20)8-11-5-6-19-15-4-2-1-3-14(11)15/h1-7,9-10,16,20H,8H2
InChIKeyBWHSWRNCJPUUDD-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.05
Rot. Bonds3

About 1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethanol

1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethanol (PubChem CID 105107049) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethanol.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethanol
PubChem CID105107049
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethanol
SMILESOC(Cc1ccnc2ccccc12)c1cncc(F)c1
InChIInChI=1S/C16H13FN2O/c17-13-7-12(9-18-10-13)16(20)8-11-5-6-19-15-4-2-1-3-14(11)15/h1-7,9-10,16,20H,8H2
InChIKeyBWHSWRNCJPUUDD-UHFFFAOYSA-N
XLogP3.05
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethyl]hydrazine
CID 105316387
1-(3-chloro-5-fluorophenyl)-2-quinolin-4-ylethanol
CID 114454142
1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanol
CID 62551931
1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethanone
CID 105109077
1-(6-methoxy-3-pyridinyl)-2-quinolin-4-ylethanol
CID 114937830
2-(2,5-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 114981178
1-(4-nitrophenyl)-2-quinolin-4-ylethanol
CID 117066360
1-(2-chloro-3-fluorophenyl)-2-quinolin-4-ylethanol
CID 115812471
4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-ol
CID 66047072
(5-fluoro-3-pyridinyl)-quinolin-5-ylmethanamine
CID 105102211
1-(1,5-dimethylpyrazol-4-yl)-2-quinolin-4-ylethanol
CID 79584284
1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105102666

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethanol?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethanol (CID 105107049) is 1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethanol.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethanol?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethanol is OC(Cc1ccnc2ccccc12)c1cncc(F)c1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethanol?
The InChIKey is BWHSWRNCJPUUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-13-7-12(9-18-10-13)16(20)8-11-5-6-19-15-4-2-1-3-14(11)15/h1-7,9-10,16,20H,8H2.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethanol?
1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethanol has a molecular weight of 268.29 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethanol is sourced from PubChem (CID 105107049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).