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

C16H17ClN2 — CID 79460270

IUPAC3-chloro-4-[[3-(3-methylphenyl)azetidin-3-yl]methyl]pyridine
SMILESCc1cccc(C2(Cc3ccncc3Cl)CNC2)c1
InChIInChI=1S/C16H17ClN2/c1-12-3-2-4-14(7-12)16(10-19-11-16)8-13-5-6-18-9-15(13)17/h2-7,9,19H,8,10-11H2,1H3
InChIKeyNSTVVEZMFVYNPL-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.13
Rot. Bonds3

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

3-chloro-4-[[3-(3-methylphenyl)azetidin-3-yl]methyl]pyridine (PubChem CID 79460270) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 3-chloro-4-[[3-(3-methylphenyl)azetidin-3-yl]methyl]pyridine.

Molecular Properties

Compound Name3-chloro-4-[[3-(3-methylphenyl)azetidin-3-yl]methyl]pyridine
PubChem CID79460270
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name3-chloro-4-[[3-(3-methylphenyl)azetidin-3-yl]methyl]pyridine
SMILESCc1cccc(C2(Cc3ccncc3Cl)CNC2)c1
InChIInChI=1S/C16H17ClN2/c1-12-3-2-4-14(7-12)16(10-19-11-16)8-13-5-6-18-9-15(13)17/h2-7,9,19H,8,10-11H2,1H3
InChIKeyNSTVVEZMFVYNPL-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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Related Compounds

3-chloro-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]pyridine
CID 79459681
5-[[3-(3-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole
CID 112645466
3-chloro-4-[[3-(2-fluorophenyl)azetidin-3-yl]methyl]pyridine
CID 79459915
3-[(2-methoxy-5-methylphenyl)methyl]-3-(3-methylphenyl)azetidine
CID 79459973
3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine
CID 79460298
3-[(2-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)azetidine
CID 79460878
3-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]azetidine
CID 79460293
1-(3-chloro-4-pyridinyl)-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105157450
3-[(2-bromophenyl)methyl]-3-(3-chlorophenyl)azetidine
CID 79459620
3-(3-methylphenyl)-3-(2-phenylsulfanylethyl)azetidine
CID 79459975
3-(3-methylphenyl)-3-(oxan-4-ylmethyl)azetidine
CID 79459804
[1-(3-chloro-4-pyridinyl)-4-(3-methylphenoxy)butan-2-yl]hydrazine
CID 105314840

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[3-(3-methylphenyl)azetidin-3-yl]methyl]pyridine?
The IUPAC name of 3-chloro-4-[[3-(3-methylphenyl)azetidin-3-yl]methyl]pyridine (CID 79460270) is 3-chloro-4-[[3-(3-methylphenyl)azetidin-3-yl]methyl]pyridine.
What is the SMILES notation for 3-chloro-4-[[3-(3-methylphenyl)azetidin-3-yl]methyl]pyridine?
The canonical SMILES for 3-chloro-4-[[3-(3-methylphenyl)azetidin-3-yl]methyl]pyridine is Cc1cccc(C2(Cc3ccncc3Cl)CNC2)c1.
What is the InChIKey of 3-chloro-4-[[3-(3-methylphenyl)azetidin-3-yl]methyl]pyridine?
The InChIKey is NSTVVEZMFVYNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c1-12-3-2-4-14(7-12)16(10-19-11-16)8-13-5-6-18-9-15(13)17/h2-7,9,19H,8,10-11H2,1H3.
What are the key properties of 3-chloro-4-[[3-(3-methylphenyl)azetidin-3-yl]methyl]pyridine?
3-chloro-4-[[3-(3-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-(3-methylphenyl)azetidin-3-yl]methyl]pyridine is sourced from PubChem (CID 79460270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).