1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanol

C14H15FN2O — CID 83131802

IUPAC1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanol
SMILESCC(O)c1ccc(N(C)c2cccc(F)c2)cn1
InChIInChI=1S/C14H15FN2O/c1-10(18)14-7-6-13(9-16-14)17(2)12-5-3-4-11(15)8-12/h3-10,18H,1-2H3
InChIKeyWTQXRQGEPJPYAS-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.04
Rot. Bonds3

About 1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanol

1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanol (PubChem CID 83131802) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanol
PubChem CID83131802
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanol
SMILESCC(O)c1ccc(N(C)c2cccc(F)c2)cn1
InChIInChI=1S/C14H15FN2O/c1-10(18)14-7-6-13(9-16-14)17(2)12-5-3-4-11(15)8-12/h3-10,18H,1-2H3
InChIKeyWTQXRQGEPJPYAS-UHFFFAOYSA-N
XLogP3.04
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]propan-1-ol
CID 103938668
6-[(1R)-1-aminoethyl]-N-(3-fluorophenyl)-N-methylpyridin-3-amine
CID 83122861
(1R)-1-[5-(N,3-dimethylanilino)-2-pyridinyl]ethanol
CID 83132483
1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanone
CID 83118886
(1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131523
N-[4-(2-aminopropyl)phenyl]-3-fluoro-N-methylaniline
CID 63817401
(1R)-1-[2-(3-fluoro-N-methylanilino)phenyl]ethanol
CID 55184502
(1R)-1-[5-[2,2-difluoroethyl(methyl)amino]-2-pyridinyl]ethanol
CID 104871019
1-[5-(N-ethyl-2-fluoroanilino)-2-pyridinyl]ethanol
CID 83132069
1-[5-[cyclopentyl(methyl)amino]-2-pyridinyl]ethanol
CID 83131595
6-[(1S)-1-aminoethyl]-N-methyl-N-phenylpyridin-3-amine
CID 83121870
1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-ol
CID 115940436

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanol?
The IUPAC name of 1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanol (CID 83131802) is 1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanol?
The canonical SMILES for 1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanol is CC(O)c1ccc(N(C)c2cccc(F)c2)cn1.
What is the InChIKey of 1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanol?
The InChIKey is WTQXRQGEPJPYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-10(18)14-7-6-13(9-16-14)17(2)12-5-3-4-11(15)8-12/h3-10,18H,1-2H3.
What are the key properties of 1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanol?
1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanol has a molecular weight of 246.28 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanol is sourced from PubChem (CID 83131802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).