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

C16H17ClN2 — CID 79459681

IUPAC3-chloro-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]pyridine
SMILESCc1ccccc1C1(Cc2ccncc2Cl)CNC1
InChIInChI=1S/C16H17ClN2/c1-12-4-2-3-5-14(12)16(10-19-11-16)8-13-6-7-18-9-15(13)17/h2-7,9,19H,8,10-11H2,1H3
InChIKeyDDPPHISSWNXNRB-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.13
Rot. Bonds3

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

3-chloro-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]pyridine (PubChem CID 79459681) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 3-chloro-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]pyridine.

Molecular Properties

Compound Name3-chloro-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]pyridine
PubChem CID79459681
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name3-chloro-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]pyridine
SMILESCc1ccccc1C1(Cc2ccncc2Cl)CNC1
InChIInChI=1S/C16H17ClN2/c1-12-4-2-3-5-14(12)16(10-19-11-16)8-13-6-7-18-9-15(13)17/h2-7,9,19H,8,10-11H2,1H3
InChIKeyDDPPHISSWNXNRB-UHFFFAOYSA-N
XLogP3.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.13
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-methylphenyl)azetidin-3-yl]methyl]pyridine?
The IUPAC name of 3-chloro-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]pyridine (CID 79459681) is 3-chloro-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]pyridine.
What is the SMILES notation for 3-chloro-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]pyridine?
The canonical SMILES for 3-chloro-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]pyridine is Cc1ccccc1C1(Cc2ccncc2Cl)CNC1.
What is the InChIKey of 3-chloro-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]pyridine?
The InChIKey is DDPPHISSWNXNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c1-12-4-2-3-5-14(12)16(10-19-11-16)8-13-6-7-18-9-15(13)17/h2-7,9,19H,8,10-11H2,1H3.
What are the key properties of 3-chloro-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]pyridine?
3-chloro-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]pyridine has a molecular weight of 272.78 g/mol, XLogP of 3.13, 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-methylphenyl)azetidin-3-yl]methyl]pyridine is sourced from PubChem (CID 79459681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).