5-[(3-fluoro-2-pyridinyl)-methylamino]pentan-1-ol

C11H17FN2O — CID 107203383

IUPAC5-[(3-fluoro-2-pyridinyl)-methylamino]pentan-1-ol
SMILESCN(CCCCCO)c1ncccc1F
InChIInChI=1S/C11H17FN2O/c1-14(8-3-2-4-9-15)11-10(12)6-5-7-13-11/h5-7,15H,2-4,8-9H2,1H3
InChIKeySQTBJUGDUAHSIX-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.82
Rot. Bonds6

About 5-[(3-fluoro-2-pyridinyl)-methylamino]pentan-1-ol

5-[(3-fluoro-2-pyridinyl)-methylamino]pentan-1-ol (PubChem CID 107203383) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 5-[(3-fluoro-2-pyridinyl)-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(3-fluoro-2-pyridinyl)-methylamino]pentan-1-ol
PubChem CID107203383
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name5-[(3-fluoro-2-pyridinyl)-methylamino]pentan-1-ol
SMILESCN(CCCCCO)c1ncccc1F
InChIInChI=1S/C11H17FN2O/c1-14(8-3-2-4-9-15)11-10(12)6-5-7-13-11/h5-7,15H,2-4,8-9H2,1H3
InChIKeySQTBJUGDUAHSIX-UHFFFAOYSA-N
XLogP1.82
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-methyl-N-propylpyridin-2-amine
CID 131175805
5-[methyl-[3-(methylaminomethyl)-2-pyridinyl]amino]pentan-1-ol
CID 114057130
5-[methyl-(3-propoxy-2-pyridinyl)amino]pentan-1-ol
CID 107203500
N'-(3-fluoro-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine
CID 62733443
4-[methyl(pyridin-2-yl)amino]butan-1-ol
CID 115217548
2-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]ethanol
CID 62733627
[2-[methyl(pentyl)amino]-3-pyridinyl]methanol
CID 61256458
2-[(3-fluoro-2-pyridinyl)-propylamino]ethanol
CID 62734185
3-[5-hydroxypentyl(methyl)amino]pyrazine-2-carbonitrile
CID 107199606
3-fluoro-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 171702410
3-chloro-N-(5-chloropentyl)-N-methylpyridin-2-amine
CID 107205302
2-[(3-chloro-2-pyridinyl)-methylamino]ethanol
CID 10241546

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-2-pyridinyl)-methylamino]pentan-1-ol?
The IUPAC name of 5-[(3-fluoro-2-pyridinyl)-methylamino]pentan-1-ol (CID 107203383) is 5-[(3-fluoro-2-pyridinyl)-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(3-fluoro-2-pyridinyl)-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(3-fluoro-2-pyridinyl)-methylamino]pentan-1-ol is CN(CCCCCO)c1ncccc1F.
What is the InChIKey of 5-[(3-fluoro-2-pyridinyl)-methylamino]pentan-1-ol?
The InChIKey is SQTBJUGDUAHSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-14(8-3-2-4-9-15)11-10(12)6-5-7-13-11/h5-7,15H,2-4,8-9H2,1H3.
What are the key properties of 5-[(3-fluoro-2-pyridinyl)-methylamino]pentan-1-ol?
5-[(3-fluoro-2-pyridinyl)-methylamino]pentan-1-ol has a molecular weight of 212.27 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-2-pyridinyl)-methylamino]pentan-1-ol is sourced from PubChem (CID 107203383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).