N-(2-chloro-4-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine

C11H12ClIN2 — CID 107606442

IUPACN-(2-chloro-4-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESClc1cc(I)ccc1NC1=NCCCC1
InChIInChI=1S/C11H12ClIN2/c12-9-7-8(13)4-5-10(9)15-11-3-1-2-6-14-11/h4-5,7H,1-3,6H2,(H,14,15)
InChIKeyXKCKDQOUNBSHQR-UHFFFAOYSA-N
MW334.59 g/mol
LogP3.94
Rot. Bonds1

About N-(2-chloro-4-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine

N-(2-chloro-4-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 107606442) has the molecular formula C11H12ClIN2 and a molecular weight of 334.59 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID107606442
Molecular FormulaC11H12ClIN2
Molecular Weight334.59 g/mol
Exact Mass333.97
IUPAC NameN-(2-chloro-4-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESClc1cc(I)ccc1NC1=NCCCC1
InChIInChI=1S/C11H12ClIN2/c12-9-7-8(13)4-5-10(9)15-11-3-1-2-6-14-11/h4-5,7H,1-3,6H2,(H,14,15)
InChIKeyXKCKDQOUNBSHQR-UHFFFAOYSA-N
XLogP3.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.59
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(2-chloro-4-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 107606442) is N-(2-chloro-4-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine is Clc1cc(I)ccc1NC1=NCCCC1.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is XKCKDQOUNBSHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClIN2/c12-9-7-8(13)4-5-10(9)15-11-3-1-2-6-14-11/h4-5,7H,1-3,6H2,(H,14,15).
What are the key properties of N-(2-chloro-4-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(2-chloro-4-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 334.59 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 107606442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).