2-chloro-4-iodo-N-(2-pyridin-4-ylethyl)aniline

C13H12ClIN2 — CID 107606595

IUPAC2-chloro-4-iodo-N-(2-pyridin-4-ylethyl)aniline
SMILESClc1cc(I)ccc1NCCc1ccncc1
InChIInChI=1S/C13H12ClIN2/c14-12-9-11(15)1-2-13(12)17-8-5-10-3-6-16-7-4-10/h1-4,6-7,9,17H,5,8H2
InChIKeyLKKASMFNAKFSKD-UHFFFAOYSA-N
MW358.61 g/mol
LogP3.99
Rot. Bonds4

About 2-chloro-4-iodo-N-(2-pyridin-4-ylethyl)aniline

2-chloro-4-iodo-N-(2-pyridin-4-ylethyl)aniline (PubChem CID 107606595) has the molecular formula C13H12ClIN2 and a molecular weight of 358.61 g/mol. Its IUPAC name is 2-chloro-4-iodo-N-(2-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name2-chloro-4-iodo-N-(2-pyridin-4-ylethyl)aniline
PubChem CID107606595
Molecular FormulaC13H12ClIN2
Molecular Weight358.61 g/mol
Exact Mass357.97
IUPAC Name2-chloro-4-iodo-N-(2-pyridin-4-ylethyl)aniline
SMILESClc1cc(I)ccc1NCCc1ccncc1
InChIInChI=1S/C13H12ClIN2/c14-12-9-11(15)1-2-13(12)17-8-5-10-3-6-16-7-4-10/h1-4,6-7,9,17H,5,8H2
InChIKeyLKKASMFNAKFSKD-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.61
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-chloro-4-iodo-N-(2-pyridin-4-ylethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,5-trichloro-N-(2-pyridin-4-ylethyl)aniline
CID 60864708
2-chloro-N-(2-pyridin-4-ylethyl)aniline
CID 45156427
4-chloro-2-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 114255842
N-butyl-2-chloro-4-iodoaniline
CID 43733829
4-bromo-2,3-dichloro-N-(2-pyridin-4-ylethyl)aniline
CID 114001741
4-(2-chloro-4-iodoanilino)butan-1-ol
CID 107606514
2-bromo-5-chloro-4-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 104723469
2-chloro-4-iodo-N-octylaniline
CID 63445374
2,6-dichloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline
CID 83077807
2-iodo-4-nitro-N-(2-pyridin-4-ylethyl)aniline
CID 66095940
3-chloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline
CID 83107247
3-[2-(4-iodophenyl)ethylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
CID 87659932

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-N-(2-pyridin-4-ylethyl)aniline?
The IUPAC name of 2-chloro-4-iodo-N-(2-pyridin-4-ylethyl)aniline (CID 107606595) is 2-chloro-4-iodo-N-(2-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 2-chloro-4-iodo-N-(2-pyridin-4-ylethyl)aniline?
The canonical SMILES for 2-chloro-4-iodo-N-(2-pyridin-4-ylethyl)aniline is Clc1cc(I)ccc1NCCc1ccncc1.
What is the InChIKey of 2-chloro-4-iodo-N-(2-pyridin-4-ylethyl)aniline?
The InChIKey is LKKASMFNAKFSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClIN2/c14-12-9-11(15)1-2-13(12)17-8-5-10-3-6-16-7-4-10/h1-4,6-7,9,17H,5,8H2.
What are the key properties of 2-chloro-4-iodo-N-(2-pyridin-4-ylethyl)aniline?
2-chloro-4-iodo-N-(2-pyridin-4-ylethyl)aniline has a molecular weight of 358.61 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-iodo-N-(2-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 107606595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).