4-chloro-N-(pyridin-3-ylmethyl)aniline

C12H11ClN2 — CID 2804545

IUPAC4-chloro-N-(pyridin-3-ylmethyl)aniline
SMILESClc1ccc(NCc2cccnc2)cc1
InChIInChI=1S/C12H11ClN2/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h1-8,15H,9H2
InChIKeyMLOJAKGCMJIRQY-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.35
Rot. Bonds3

About 4-chloro-N-(pyridin-3-ylmethyl)aniline

4-chloro-N-(pyridin-3-ylmethyl)aniline (PubChem CID 2804545) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 4-chloro-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(pyridin-3-ylmethyl)aniline
PubChem CID2804545
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name4-chloro-N-(pyridin-3-ylmethyl)aniline
SMILESClc1ccc(NCc2cccnc2)cc1
InChIInChI=1S/C12H11ClN2/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h1-8,15H,9H2
InChIKeyMLOJAKGCMJIRQY-UHFFFAOYSA-N
XLogP3.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 4-chloro-N-(pyridin-3-ylmethyl)aniline (CID 2804545) is 4-chloro-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 4-chloro-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 4-chloro-N-(pyridin-3-ylmethyl)aniline is Clc1ccc(NCc2cccnc2)cc1.
What is the InChIKey of 4-chloro-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is MLOJAKGCMJIRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h1-8,15H,9H2.
What are the key properties of 4-chloro-N-(pyridin-3-ylmethyl)aniline?
4-chloro-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 218.69 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 2804545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).