N-(4-chlorophenyl)pyridin-2-amine

C44H36Cl4N8 — CID 139075249

IUPACN-(4-chlorophenyl)pyridin-2-amine
SMILESClc1ccc(Nc2ccccn2)cc1.Clc1ccc(Nc2ccccn2)cc1.Clc1ccc(Nc2ccccn2)cc1.Clc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/4C11H9ClN2/c4*12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4*1-8H,(H,13,14)
InChIKeyPXJQKKKKFSNEBP-UHFFFAOYSA-N
MW818.64 g/mol
LogP13.91
Rot. Bonds8

About N-(4-chlorophenyl)pyridin-2-amine

N-(4-chlorophenyl)pyridin-2-amine (PubChem CID 139075249) has the molecular formula C44H36Cl4N8 and a molecular weight of 818.64 g/mol. Its IUPAC name is N-(4-chlorophenyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)pyridin-2-amine
PubChem CID139075249
Molecular FormulaC44H36Cl4N8
Molecular Weight818.64 g/mol
Exact Mass816.18
IUPAC NameN-(4-chlorophenyl)pyridin-2-amine
SMILESClc1ccc(Nc2ccccn2)cc1.Clc1ccc(Nc2ccccn2)cc1.Clc1ccc(Nc2ccccn2)cc1.Clc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/4C11H9ClN2/c4*12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4*1-8H,(H,13,14)
InChIKeyPXJQKKKKFSNEBP-UHFFFAOYSA-N
XLogP13.91
TPSA99.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.64
LogP ≤ 513.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)pyridin-2-amine?
The IUPAC name of N-(4-chlorophenyl)pyridin-2-amine (CID 139075249) is N-(4-chlorophenyl)pyridin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)pyridin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)pyridin-2-amine is Clc1ccc(Nc2ccccn2)cc1.Clc1ccc(Nc2ccccn2)cc1.Clc1ccc(Nc2ccccn2)cc1.Clc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-(4-chlorophenyl)pyridin-2-amine?
The InChIKey is PXJQKKKKFSNEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H9ClN2/c4*12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4*1-8H,(H,13,14).
What are the key properties of N-(4-chlorophenyl)pyridin-2-amine?
N-(4-chlorophenyl)pyridin-2-amine has a molecular weight of 818.64 g/mol, XLogP of 13.91, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)pyridin-2-amine is sourced from PubChem (CID 139075249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).