[2-[(6-fluoro-2-pyridinyl)amino]-1-methylcyclopentyl]methanol

C12H17FN2O — CID 71998148

IUPAC[2-[(6-fluoro-2-pyridinyl)amino]-1-methylcyclopentyl]methanol
SMILESCC1(CO)CCCC1Nc1cccc(F)n1
InChIInChI=1S/C12H17FN2O/c1-12(8-16)7-3-4-9(12)14-11-6-2-5-10(13)15-11/h2,5-6,9,16H,3-4,7-8H2,1H3,(H,14,15)
InChIKeyRILYTQYABVNSCC-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.18
Rot. Bonds3

About [2-[(6-fluoro-2-pyridinyl)amino]-1-methylcyclopentyl]methanol

[2-[(6-fluoro-2-pyridinyl)amino]-1-methylcyclopentyl]methanol (PubChem CID 71998148) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is [2-[(6-fluoro-2-pyridinyl)amino]-1-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(6-fluoro-2-pyridinyl)amino]-1-methylcyclopentyl]methanol
PubChem CID71998148
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name[2-[(6-fluoro-2-pyridinyl)amino]-1-methylcyclopentyl]methanol
SMILESCC1(CO)CCCC1Nc1cccc(F)n1
InChIInChI=1S/C12H17FN2O/c1-12(8-16)7-3-4-9(12)14-11-6-2-5-10(13)15-11/h2,5-6,9,16H,3-4,7-8H2,1H3,(H,14,15)
InChIKeyRILYTQYABVNSCC-UHFFFAOYSA-N
XLogP2.18
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.18
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 [2-[(6-fluoro-2-pyridinyl)amino]-1-methylcyclopentyl]methanol?
The IUPAC name of [2-[(6-fluoro-2-pyridinyl)amino]-1-methylcyclopentyl]methanol (CID 71998148) is [2-[(6-fluoro-2-pyridinyl)amino]-1-methylcyclopentyl]methanol.
What is the SMILES notation for [2-[(6-fluoro-2-pyridinyl)amino]-1-methylcyclopentyl]methanol?
The canonical SMILES for [2-[(6-fluoro-2-pyridinyl)amino]-1-methylcyclopentyl]methanol is CC1(CO)CCCC1Nc1cccc(F)n1.
What is the InChIKey of [2-[(6-fluoro-2-pyridinyl)amino]-1-methylcyclopentyl]methanol?
The InChIKey is RILYTQYABVNSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-12(8-16)7-3-4-9(12)14-11-6-2-5-10(13)15-11/h2,5-6,9,16H,3-4,7-8H2,1H3,(H,14,15).
What are the key properties of [2-[(6-fluoro-2-pyridinyl)amino]-1-methylcyclopentyl]methanol?
[2-[(6-fluoro-2-pyridinyl)amino]-1-methylcyclopentyl]methanol has a molecular weight of 224.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-fluoro-2-pyridinyl)amino]-1-methylcyclopentyl]methanol is sourced from PubChem (CID 71998148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).