2-fluoro-5-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]pyridine

C16H18FN3 — CID 163265991

IUPAC2-fluoro-5-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]pyridine
SMILESCC1CCN(c2ncccc2-c2ccc(F)nc2)CC1
InChIInChI=1S/C16H18FN3/c1-12-6-9-20(10-7-12)16-14(3-2-8-18-16)13-4-5-15(17)19-11-13/h2-5,8,11-12H,6-7,9-10H2,1H3
InChIKeyIJRWAAAMVDDSMA-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.52
Rot. Bonds2

About 2-fluoro-5-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]pyridine

2-fluoro-5-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]pyridine (PubChem CID 163265991) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-fluoro-5-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]pyridine.

Molecular Properties

Compound Name2-fluoro-5-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]pyridine
PubChem CID163265991
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name2-fluoro-5-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]pyridine
SMILESCC1CCN(c2ncccc2-c2ccc(F)nc2)CC1
InChIInChI=1S/C16H18FN3/c1-12-6-9-20(10-7-12)16-14(3-2-8-18-16)13-4-5-15(17)19-11-13/h2-5,8,11-12H,6-7,9-10H2,1H3
InChIKeyIJRWAAAMVDDSMA-UHFFFAOYSA-N
XLogP3.52
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-(4-methylpiperidin-1-yl)pyridine
CID 155975394
2-(4-methylpiperidin-1-yl)pyridine-3-carbothioamide
CID 24705416
2-(4-methylpiperidin-1-yl)pyridine-3-carbaldehyde
CID 83881985
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
4,5-difluoro-2-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;formaldehyde;methane
CID 143794006
2-(3,3-difluoroazetidin-1-yl)-3-(6-ethenyl-3-pyridinyl)pyridine
CID 170299133
N-methyl-1-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62286090
5-[1-[3-(6-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 169246684
azane;2-(4-methylpiperidin-1-yl)pyrimidine
CID 70283358
1-[2-(4-methylazepan-1-yl)-3-pyridinyl]ethanamine
CID 114056181
1-[3-fluoro-2-(4-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105388731
1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea
CID 166603345

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]pyridine?
The IUPAC name of 2-fluoro-5-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]pyridine (CID 163265991) is 2-fluoro-5-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]pyridine.
What is the SMILES notation for 2-fluoro-5-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]pyridine?
The canonical SMILES for 2-fluoro-5-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]pyridine is CC1CCN(c2ncccc2-c2ccc(F)nc2)CC1.
What is the InChIKey of 2-fluoro-5-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]pyridine?
The InChIKey is IJRWAAAMVDDSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c1-12-6-9-20(10-7-12)16-14(3-2-8-18-16)13-4-5-15(17)19-11-13/h2-5,8,11-12H,6-7,9-10H2,1H3.
What are the key properties of 2-fluoro-5-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]pyridine?
2-fluoro-5-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]pyridine has a molecular weight of 271.34 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]pyridine is sourced from PubChem (CID 163265991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).