1-(6-fluoro-2-pyridinyl)-4-methylazepan-4-ol

C12H17FN2O — CID 107405831

IUPAC1-(6-fluoro-2-pyridinyl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(c2cccc(F)n2)CC1
InChIInChI=1S/C12H17FN2O/c1-12(16)6-3-8-15(9-7-12)11-5-2-4-10(13)14-11/h2,4-5,16H,3,6-9H2,1H3
InChIKeyFVABTPDROZXJHG-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.96
Rot. Bonds1

About 1-(6-fluoro-2-pyridinyl)-4-methylazepan-4-ol

1-(6-fluoro-2-pyridinyl)-4-methylazepan-4-ol (PubChem CID 107405831) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-(6-fluoro-2-pyridinyl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(6-fluoro-2-pyridinyl)-4-methylazepan-4-ol
PubChem CID107405831
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name1-(6-fluoro-2-pyridinyl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(c2cccc(F)n2)CC1
InChIInChI=1S/C12H17FN2O/c1-12(16)6-3-8-15(9-7-12)11-5-2-4-10(13)14-11/h2,4-5,16H,3,6-9H2,1H3
InChIKeyFVABTPDROZXJHG-UHFFFAOYSA-N
XLogP1.96
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(6-amino-2-pyridinyl)-4-methylazepan-4-ol
CID 107408996
1-[4-(6-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 55002941
4-(3,5-dimethoxyphenyl)-1-(6-fluoro-2-pyridinyl)piperidin-4-ol
CID 133362438
1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 61444197
2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 61229554
4-(6-fluoro-2-pyridinyl)-1,4-thiazepane 1-oxide
CID 130644916
4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)azepan-4-ol
CID 107407455
1-(2,6-diaminopyrimidin-4-yl)-4-methylazepan-4-ol
CID 107409100
1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 61230129
8-(6-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
CID 16739588
1-(6-amino-5-nitro-2-pyridinyl)-4-methylazepan-4-ol
CID 107407553
6-(4,4-dimethylazepan-1-yl)pyridine-2-carboxylic acid
CID 65283066

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2-pyridinyl)-4-methylazepan-4-ol?
The IUPAC name of 1-(6-fluoro-2-pyridinyl)-4-methylazepan-4-ol (CID 107405831) is 1-(6-fluoro-2-pyridinyl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(6-fluoro-2-pyridinyl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(6-fluoro-2-pyridinyl)-4-methylazepan-4-ol is CC1(O)CCCN(c2cccc(F)n2)CC1.
What is the InChIKey of 1-(6-fluoro-2-pyridinyl)-4-methylazepan-4-ol?
The InChIKey is FVABTPDROZXJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-12(16)6-3-8-15(9-7-12)11-5-2-4-10(13)14-11/h2,4-5,16H,3,6-9H2,1H3.
What are the key properties of 1-(6-fluoro-2-pyridinyl)-4-methylazepan-4-ol?
1-(6-fluoro-2-pyridinyl)-4-methylazepan-4-ol has a molecular weight of 224.28 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2-pyridinyl)-4-methylazepan-4-ol is sourced from PubChem (CID 107405831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).