4-chloro-N-(2-pyridin-2-ylethyl)pyridin-2-amine

C12H12ClN3 — CID 19432992

IUPAC4-chloro-N-(2-pyridin-2-ylethyl)pyridin-2-amine
SMILESClc1ccnc(NCCc2ccccn2)c1
InChIInChI=1S/C12H12ClN3/c13-10-4-7-15-12(9-10)16-8-5-11-3-1-2-6-14-11/h1-4,6-7,9H,5,8H2,(H,15,16)
InChIKeyRYVKXMQPSXSARG-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.78
Rot. Bonds4

About 4-chloro-N-(2-pyridin-2-ylethyl)pyridin-2-amine

4-chloro-N-(2-pyridin-2-ylethyl)pyridin-2-amine (PubChem CID 19432992) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 4-chloro-N-(2-pyridin-2-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-pyridin-2-ylethyl)pyridin-2-amine
PubChem CID19432992
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name4-chloro-N-(2-pyridin-2-ylethyl)pyridin-2-amine
SMILESClc1ccnc(NCCc2ccccn2)c1
InChIInChI=1S/C12H12ClN3/c13-10-4-7-15-12(9-10)16-8-5-11-3-1-2-6-14-11/h1-4,6-7,9H,5,8H2,(H,15,16)
InChIKeyRYVKXMQPSXSARG-UHFFFAOYSA-N
XLogP2.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-pyridin-2-ylethyl)aniline
CID 5001899
5-chloro-2-fluoro-N-(2-pyridin-2-ylethyl)aniline
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N-(2-pyridin-2-ylethyl)pyrazin-2-amine
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2-(2-pyridin-2-ylethylamino)pyridine-4-carbothioamide
CID 24696486
4-chloro-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 115468470
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CID 28902081
4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 78929798
6-chloro-2-ethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80943258
4,6-dichloro-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
CID 58508167
3-chloro-N-(2-pyridin-2-ylethyl)quinoxalin-2-amine
CID 23770473
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CID 102755416
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CID 61240928

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-pyridin-2-ylethyl)pyridin-2-amine?
The IUPAC name of 4-chloro-N-(2-pyridin-2-ylethyl)pyridin-2-amine (CID 19432992) is 4-chloro-N-(2-pyridin-2-ylethyl)pyridin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-pyridin-2-ylethyl)pyridin-2-amine?
The canonical SMILES for 4-chloro-N-(2-pyridin-2-ylethyl)pyridin-2-amine is Clc1ccnc(NCCc2ccccn2)c1.
What is the InChIKey of 4-chloro-N-(2-pyridin-2-ylethyl)pyridin-2-amine?
The InChIKey is RYVKXMQPSXSARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c13-10-4-7-15-12(9-10)16-8-5-11-3-1-2-6-14-11/h1-4,6-7,9H,5,8H2,(H,15,16).
What are the key properties of 4-chloro-N-(2-pyridin-2-ylethyl)pyridin-2-amine?
4-chloro-N-(2-pyridin-2-ylethyl)pyridin-2-amine has a molecular weight of 233.70 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-pyridin-2-ylethyl)pyridin-2-amine is sourced from PubChem (CID 19432992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).