1-[6-fluoro-5-(methylaminomethyl)-3-pyridinyl]ethanol

C9H13FN2O — CID 122489279

IUPAC1-[6-fluoro-5-(methylaminomethyl)-3-pyridinyl]ethanol
SMILESCNCc1cc(C(C)O)cnc1F
InChIInChI=1S/C9H13FN2O/c1-6(13)7-3-8(4-11-2)9(10)12-5-7/h3,5-6,11,13H,4H2,1-2H3
InChIKeyGRVRNXFUTAZGAW-UHFFFAOYSA-N
MW184.21 g/mol
LogP0.99
Rot. Bonds3

About 1-[6-fluoro-5-(methylaminomethyl)-3-pyridinyl]ethanol

1-[6-fluoro-5-(methylaminomethyl)-3-pyridinyl]ethanol (PubChem CID 122489279) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 1-[6-fluoro-5-(methylaminomethyl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[6-fluoro-5-(methylaminomethyl)-3-pyridinyl]ethanol
PubChem CID122489279
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name1-[6-fluoro-5-(methylaminomethyl)-3-pyridinyl]ethanol
SMILESCNCc1cc(C(C)O)cnc1F
InChIInChI=1S/C9H13FN2O/c1-6(13)7-3-8(4-11-2)9(10)12-5-7/h3,5-6,11,13H,4H2,1-2H3
InChIKeyGRVRNXFUTAZGAW-UHFFFAOYSA-N
XLogP0.99
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 50.99
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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Frequently Asked Questions

What is the IUPAC name of 1-[6-fluoro-5-(methylaminomethyl)-3-pyridinyl]ethanol?
The IUPAC name of 1-[6-fluoro-5-(methylaminomethyl)-3-pyridinyl]ethanol (CID 122489279) is 1-[6-fluoro-5-(methylaminomethyl)-3-pyridinyl]ethanol.
What is the SMILES notation for 1-[6-fluoro-5-(methylaminomethyl)-3-pyridinyl]ethanol?
The canonical SMILES for 1-[6-fluoro-5-(methylaminomethyl)-3-pyridinyl]ethanol is CNCc1cc(C(C)O)cnc1F.
What is the InChIKey of 1-[6-fluoro-5-(methylaminomethyl)-3-pyridinyl]ethanol?
The InChIKey is GRVRNXFUTAZGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-6(13)7-3-8(4-11-2)9(10)12-5-7/h3,5-6,11,13H,4H2,1-2H3.
What are the key properties of 1-[6-fluoro-5-(methylaminomethyl)-3-pyridinyl]ethanol?
1-[6-fluoro-5-(methylaminomethyl)-3-pyridinyl]ethanol has a molecular weight of 184.21 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-fluoro-5-(methylaminomethyl)-3-pyridinyl]ethanol is sourced from PubChem (CID 122489279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).