(2-chlorophenyl)methyl-(pyridin-2-ylmethyl)azanium

C13H14ClN2+ — CID 6964752

IUPAC(2-chlorophenyl)methyl-(pyridin-2-ylmethyl)azanium
SMILESClc1ccccc1C[NH2+]Cc1ccccn1
InChIInChI=1S/C13H13ClN2/c14-13-7-2-1-5-11(13)9-15-10-12-6-3-4-8-16-12/h1-8,15H,9-10H2/p+1
InChIKeyPNKPOYFGEPYCBE-UHFFFAOYSA-O
MW233.72 g/mol
LogP2.00
Rot. Bonds4

About (2-chlorophenyl)methyl-(pyridin-2-ylmethyl)azanium

(2-chlorophenyl)methyl-(pyridin-2-ylmethyl)azanium (PubChem CID 6964752) has the molecular formula C13H14ClN2+ and a molecular weight of 233.72 g/mol. Its IUPAC name is (2-chlorophenyl)methyl-(pyridin-2-ylmethyl)azanium.

Molecular Properties

Compound Name(2-chlorophenyl)methyl-(pyridin-2-ylmethyl)azanium
PubChem CID6964752
Molecular FormulaC13H14ClN2+
Molecular Weight233.72 g/mol
Exact Mass233.08
IUPAC Name(2-chlorophenyl)methyl-(pyridin-2-ylmethyl)azanium
SMILESClc1ccccc1C[NH2+]Cc1ccccn1
InChIInChI=1S/C13H13ClN2/c14-13-7-2-1-5-11(13)9-15-10-12-6-3-4-8-16-12/h1-8,15H,9-10H2/p+1
InChIKeyPNKPOYFGEPYCBE-UHFFFAOYSA-O
XLogP2.00
TPSA29.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

naphthalen-1-ylmethyl(pyridin-2-ylmethyl)azanium
CID 7480921
oxido(pyridin-2-ylmethyl)azanium
CID 87207811
butyl(pyridin-2-ylmethyl)azanium
CID 40508011
(2-chlorophenyl)methyl-(3-hydroxypropyl)azanium
CID 7018885
(2-chlorophenyl)methyl-[(2-ethoxyphenyl)methyl]azanium
CID 7826978
1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 2988708
(2-chlorophenyl)methyl-(2-hydroxyethyl)azanium
CID 7018888
ethane;methyl(pyridin-2-ylmethyl)azanium
CID 91331708
[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium chloride
CID 44664783
(2-chlorophenyl)methyl-(thiophen-3-ylmethyl)azanium
CID 8622999
2-[(5-chloro-2-pyridinyl)oxy]ethyl-(pyridin-2-ylmethyl)azanium chloride
CID 110176972
2-[(2-chlorophenyl)methyl]-4-pyridin-2-ylbutanoic acid
CID 79418089

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl-(pyridin-2-ylmethyl)azanium?
The IUPAC name of (2-chlorophenyl)methyl-(pyridin-2-ylmethyl)azanium (CID 6964752) is (2-chlorophenyl)methyl-(pyridin-2-ylmethyl)azanium.
What is the SMILES notation for (2-chlorophenyl)methyl-(pyridin-2-ylmethyl)azanium?
The canonical SMILES for (2-chlorophenyl)methyl-(pyridin-2-ylmethyl)azanium is Clc1ccccc1C[NH2+]Cc1ccccn1.
What is the InChIKey of (2-chlorophenyl)methyl-(pyridin-2-ylmethyl)azanium?
The InChIKey is PNKPOYFGEPYCBE-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H13ClN2/c14-13-7-2-1-5-11(13)9-15-10-12-6-3-4-8-16-12/h1-8,15H,9-10H2/p+1.
What are the key properties of (2-chlorophenyl)methyl-(pyridin-2-ylmethyl)azanium?
(2-chlorophenyl)methyl-(pyridin-2-ylmethyl)azanium has a molecular weight of 233.72 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl-(pyridin-2-ylmethyl)azanium is sourced from PubChem (CID 6964752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).