(6-fluoro-2-pyridinyl)-(2-methylazepan-1-yl)methanone

C13H17FN2O — CID 115497894

IUPAC(6-fluoro-2-pyridinyl)-(2-methylazepan-1-yl)methanone
SMILESCC1CCCCCN1C(=O)c1cccc(F)n1
InChIInChI=1S/C13H17FN2O/c1-10-6-3-2-4-9-16(10)13(17)11-7-5-8-12(14)15-11/h5,7-8,10H,2-4,6,9H2,1H3
InChIKeyPDFLLSOFIMTITB-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.63
Rot. Bonds1

About (6-fluoro-2-pyridinyl)-(2-methylazepan-1-yl)methanone

(6-fluoro-2-pyridinyl)-(2-methylazepan-1-yl)methanone (PubChem CID 115497894) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is (6-fluoro-2-pyridinyl)-(2-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-2-pyridinyl)-(2-methylazepan-1-yl)methanone
PubChem CID115497894
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name(6-fluoro-2-pyridinyl)-(2-methylazepan-1-yl)methanone
SMILESCC1CCCCCN1C(=O)c1cccc(F)n1
InChIInChI=1S/C13H17FN2O/c1-10-6-3-2-4-9-16(10)13(17)11-7-5-8-12(14)15-11/h5,7-8,10H,2-4,6,9H2,1H3
InChIKeyPDFLLSOFIMTITB-UHFFFAOYSA-N
XLogP2.63
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-methylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone
CID 84573692
(2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
CID 115497518
(2,6-dimethylpiperidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
CID 115496620
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(6-fluoro-2-pyridinyl)methanone
CID 113323386
(6-fluoro-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 113323326
(6-fluoro-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115497671
1-[(2S)-1-(6-fluoropyridine-2-carbonyl)pyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 58533268
(6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 115497092
(6-fluoro-2-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115497554
(5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 81319885
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
(6-fluoro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114592943

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-pyridinyl)-(2-methylazepan-1-yl)methanone?
The IUPAC name of (6-fluoro-2-pyridinyl)-(2-methylazepan-1-yl)methanone (CID 115497894) is (6-fluoro-2-pyridinyl)-(2-methylazepan-1-yl)methanone.
What is the SMILES notation for (6-fluoro-2-pyridinyl)-(2-methylazepan-1-yl)methanone?
The canonical SMILES for (6-fluoro-2-pyridinyl)-(2-methylazepan-1-yl)methanone is CC1CCCCCN1C(=O)c1cccc(F)n1.
What is the InChIKey of (6-fluoro-2-pyridinyl)-(2-methylazepan-1-yl)methanone?
The InChIKey is PDFLLSOFIMTITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-10-6-3-2-4-9-16(10)13(17)11-7-5-8-12(14)15-11/h5,7-8,10H,2-4,6,9H2,1H3.
What are the key properties of (6-fluoro-2-pyridinyl)-(2-methylazepan-1-yl)methanone?
(6-fluoro-2-pyridinyl)-(2-methylazepan-1-yl)methanone has a molecular weight of 236.29 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-pyridinyl)-(2-methylazepan-1-yl)methanone is sourced from PubChem (CID 115497894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).