2-(3-chloro-4-methylpiperidin-1-yl)-3-fluoropyridine

C11H14ClFN2 — CID 102960811

IUPAC2-(3-chloro-4-methylpiperidin-1-yl)-3-fluoropyridine
SMILESCC1CCN(c2ncccc2F)CC1Cl
InChIInChI=1S/C11H14ClFN2/c1-8-4-6-15(7-9(8)12)11-10(13)3-2-5-14-11/h2-3,5,8-9H,4,6-7H2,1H3
InChIKeyCOCMLOFHWBZXRC-UHFFFAOYSA-N
MW228.70 g/mol
LogP2.67
Rot. Bonds1

About 2-(3-chloro-4-methylpiperidin-1-yl)-3-fluoropyridine

2-(3-chloro-4-methylpiperidin-1-yl)-3-fluoropyridine (PubChem CID 102960811) has the molecular formula C11H14ClFN2 and a molecular weight of 228.70 g/mol. Its IUPAC name is 2-(3-chloro-4-methylpiperidin-1-yl)-3-fluoropyridine.

Molecular Properties

Compound Name2-(3-chloro-4-methylpiperidin-1-yl)-3-fluoropyridine
PubChem CID102960811
Molecular FormulaC11H14ClFN2
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC Name2-(3-chloro-4-methylpiperidin-1-yl)-3-fluoropyridine
SMILESCC1CCN(c2ncccc2F)CC1Cl
InChIInChI=1S/C11H14ClFN2/c1-8-4-6-15(7-9(8)12)11-10(13)3-2-5-14-11/h2-3,5,8-9H,4,6-7H2,1H3
InChIKeyCOCMLOFHWBZXRC-UHFFFAOYSA-N
XLogP2.67
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2-(3-chloro-4-methylpiperidin-1-yl)pyridine
CID 102960861
2-(3-bromopyrrolidin-1-yl)-3-fluoropyridine
CID 80666888
2-(3-chloro-4-methylpiperidin-1-yl)pyrimidine
CID 102960793
1-(3-fluoro-2-pyridinyl)-3-methylpiperazine
CID 62734907
4-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]morpholine
CID 172905301
1-(3-fluoro-2-pyridinyl)-4-methylpyrrolidin-3-amine
CID 103577365
[(2S,3R)-1-(3-fluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol
CID 129413727
tert-butyl (3R)-1-(3-fluoro-2-pyridinyl)pyrrolidine-3-carboxylate
CID 129371703
4-(3-chloro-4-methylpiperidin-1-yl)furo[3,2-c]pyridine
CID 106535762
(6R)-1-benzyl-4-(3-fluoro-2-pyridinyl)-1,4-diazepan-6-ol
CID 97281064
[(3S)-1-(3-fluoro-2-pyridinyl)piperidin-3-yl]methanol
CID 94573932
4-(3-chloro-4-methylpiperidin-1-yl)quinazoline
CID 102960852

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylpiperidin-1-yl)-3-fluoropyridine?
The IUPAC name of 2-(3-chloro-4-methylpiperidin-1-yl)-3-fluoropyridine (CID 102960811) is 2-(3-chloro-4-methylpiperidin-1-yl)-3-fluoropyridine.
What is the SMILES notation for 2-(3-chloro-4-methylpiperidin-1-yl)-3-fluoropyridine?
The canonical SMILES for 2-(3-chloro-4-methylpiperidin-1-yl)-3-fluoropyridine is CC1CCN(c2ncccc2F)CC1Cl.
What is the InChIKey of 2-(3-chloro-4-methylpiperidin-1-yl)-3-fluoropyridine?
The InChIKey is COCMLOFHWBZXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2/c1-8-4-6-15(7-9(8)12)11-10(13)3-2-5-14-11/h2-3,5,8-9H,4,6-7H2,1H3.
What are the key properties of 2-(3-chloro-4-methylpiperidin-1-yl)-3-fluoropyridine?
2-(3-chloro-4-methylpiperidin-1-yl)-3-fluoropyridine has a molecular weight of 228.70 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylpiperidin-1-yl)-3-fluoropyridine is sourced from PubChem (CID 102960811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).