3-chloro-4-[[3-(2-fluorophenyl)azetidin-3-yl]methyl]pyridine

C15H14ClFN2 — CID 79459915

IUPAC3-chloro-4-[[3-(2-fluorophenyl)azetidin-3-yl]methyl]pyridine
SMILESFc1ccccc1C1(Cc2ccncc2Cl)CNC1
InChIInChI=1S/C15H14ClFN2/c16-13-8-18-6-5-11(13)7-15(9-19-10-15)12-3-1-2-4-14(12)17/h1-6,8,19H,7,9-10H2
InChIKeyCCKCUJWDFKURNN-UHFFFAOYSA-N
MW276.74 g/mol
LogP2.96
Rot. Bonds3

About 3-chloro-4-[[3-(2-fluorophenyl)azetidin-3-yl]methyl]pyridine

3-chloro-4-[[3-(2-fluorophenyl)azetidin-3-yl]methyl]pyridine (PubChem CID 79459915) has the molecular formula C15H14ClFN2 and a molecular weight of 276.74 g/mol. Its IUPAC name is 3-chloro-4-[[3-(2-fluorophenyl)azetidin-3-yl]methyl]pyridine.

Molecular Properties

Compound Name3-chloro-4-[[3-(2-fluorophenyl)azetidin-3-yl]methyl]pyridine
PubChem CID79459915
Molecular FormulaC15H14ClFN2
Molecular Weight276.74 g/mol
Exact Mass276.08
IUPAC Name3-chloro-4-[[3-(2-fluorophenyl)azetidin-3-yl]methyl]pyridine
SMILESFc1ccccc1C1(Cc2ccncc2Cl)CNC1
InChIInChI=1S/C15H14ClFN2/c16-13-8-18-6-5-11(13)7-15(9-19-10-15)12-3-1-2-4-14(12)17/h1-6,8,19H,7,9-10H2
InChIKeyCCKCUJWDFKURNN-UHFFFAOYSA-N
XLogP2.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[3-(2-fluorophenyl)azetidin-3-yl]methyl]pyridine?
The IUPAC name of 3-chloro-4-[[3-(2-fluorophenyl)azetidin-3-yl]methyl]pyridine (CID 79459915) is 3-chloro-4-[[3-(2-fluorophenyl)azetidin-3-yl]methyl]pyridine.
What is the SMILES notation for 3-chloro-4-[[3-(2-fluorophenyl)azetidin-3-yl]methyl]pyridine?
The canonical SMILES for 3-chloro-4-[[3-(2-fluorophenyl)azetidin-3-yl]methyl]pyridine is Fc1ccccc1C1(Cc2ccncc2Cl)CNC1.
What is the InChIKey of 3-chloro-4-[[3-(2-fluorophenyl)azetidin-3-yl]methyl]pyridine?
The InChIKey is CCKCUJWDFKURNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2/c16-13-8-18-6-5-11(13)7-15(9-19-10-15)12-3-1-2-4-14(12)17/h1-6,8,19H,7,9-10H2.
What are the key properties of 3-chloro-4-[[3-(2-fluorophenyl)azetidin-3-yl]methyl]pyridine?
3-chloro-4-[[3-(2-fluorophenyl)azetidin-3-yl]methyl]pyridine has a molecular weight of 276.74 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[3-(2-fluorophenyl)azetidin-3-yl]methyl]pyridine is sourced from PubChem (CID 79459915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).