2-(4-chloro-3-methylpiperidin-1-yl)-5-fluoropyridine

C11H14ClFN2 — CID 114682637

IUPAC2-(4-chloro-3-methylpiperidin-1-yl)-5-fluoropyridine
SMILESCC1CN(c2ccc(F)cn2)CCC1Cl
InChIInChI=1S/C11H14ClFN2/c1-8-7-15(5-4-10(8)12)11-3-2-9(13)6-14-11/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeyBGBYAYNKIJYMQT-UHFFFAOYSA-N
MW228.70 g/mol
LogP2.67
Rot. Bonds1

About 2-(4-chloro-3-methylpiperidin-1-yl)-5-fluoropyridine

2-(4-chloro-3-methylpiperidin-1-yl)-5-fluoropyridine (PubChem CID 114682637) has the molecular formula C11H14ClFN2 and a molecular weight of 228.70 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpiperidin-1-yl)-5-fluoropyridine.

Molecular Properties

Compound Name2-(4-chloro-3-methylpiperidin-1-yl)-5-fluoropyridine
PubChem CID114682637
Molecular FormulaC11H14ClFN2
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC Name2-(4-chloro-3-methylpiperidin-1-yl)-5-fluoropyridine
SMILESCC1CN(c2ccc(F)cn2)CCC1Cl
InChIInChI=1S/C11H14ClFN2/c1-8-7-15(5-4-10(8)12)11-3-2-9(13)6-14-11/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeyBGBYAYNKIJYMQT-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

4-chloro-1-(5-fluoro-2-pyridinyl)azepane
CID 131020139
6-(4-chloro-3-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103341441
(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-ol
CID 58565962
2-[3-(bromomethyl)piperidin-1-yl]-5-fluoropyridine
CID 80672753
1-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanamine
CID 61313343
5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine
CID 115871255
(1R)-1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]ethanol
CID 100670630
2-[4-(bromomethyl)piperidin-1-yl]-5-fluoropyridine
CID 80668710
N-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanesulfonamide
CID 166603265
6-(3-chloro-4-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103341456
1-(5-fluoro-2-pyridinyl)azetidin-3-amine
CID 63759054
4-(4-chloro-3-methylpiperidin-1-yl)-6-methylsulfanylpyrimidine
CID 106973827

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylpiperidin-1-yl)-5-fluoropyridine?
The IUPAC name of 2-(4-chloro-3-methylpiperidin-1-yl)-5-fluoropyridine (CID 114682637) is 2-(4-chloro-3-methylpiperidin-1-yl)-5-fluoropyridine.
What is the SMILES notation for 2-(4-chloro-3-methylpiperidin-1-yl)-5-fluoropyridine?
The canonical SMILES for 2-(4-chloro-3-methylpiperidin-1-yl)-5-fluoropyridine is CC1CN(c2ccc(F)cn2)CCC1Cl.
What is the InChIKey of 2-(4-chloro-3-methylpiperidin-1-yl)-5-fluoropyridine?
The InChIKey is BGBYAYNKIJYMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2/c1-8-7-15(5-4-10(8)12)11-3-2-9(13)6-14-11/h2-3,6,8,10H,4-5,7H2,1H3.
What are the key properties of 2-(4-chloro-3-methylpiperidin-1-yl)-5-fluoropyridine?
2-(4-chloro-3-methylpiperidin-1-yl)-5-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-(4-chloro-3-methylpiperidin-1-yl)-5-fluoropyridine is sourced from PubChem (CID 114682637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).