6-N-(3,5-dichlorophenyl)pyridine-2,6-diamine

C11H9Cl2N3 — CID 80647643

IUPAC6-N-(3,5-dichlorophenyl)pyridine-2,6-diamine
SMILESNc1cccc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C11H9Cl2N3/c12-7-4-8(13)6-9(5-7)15-11-3-1-2-10(14)16-11/h1-6H,(H3,14,15,16)
InChIKeyMGMBTFABMFEGEE-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.71
Rot. Bonds2

About 6-N-(3,5-dichlorophenyl)pyridine-2,6-diamine

6-N-(3,5-dichlorophenyl)pyridine-2,6-diamine (PubChem CID 80647643) has the molecular formula C11H9Cl2N3 and a molecular weight of 254.12 g/mol. Its IUPAC name is 6-N-(3,5-dichlorophenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3,5-dichlorophenyl)pyridine-2,6-diamine
PubChem CID80647643
Molecular FormulaC11H9Cl2N3
Molecular Weight254.12 g/mol
Exact Mass253.02
IUPAC Name6-N-(3,5-dichlorophenyl)pyridine-2,6-diamine
SMILESNc1cccc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C11H9Cl2N3/c12-7-4-8(13)6-9(5-7)15-11-3-1-2-10(14)16-11/h1-6H,(H3,14,15,16)
InChIKeyMGMBTFABMFEGEE-UHFFFAOYSA-N
XLogP3.71
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-N-(3,5-dichlorophenyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(3,5-dichlorophenyl)pyridine-2,6-diamine (CID 80647643) is 6-N-(3,5-dichlorophenyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(3,5-dichlorophenyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(3,5-dichlorophenyl)pyridine-2,6-diamine is Nc1cccc(Nc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 6-N-(3,5-dichlorophenyl)pyridine-2,6-diamine?
The InChIKey is MGMBTFABMFEGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3/c12-7-4-8(13)6-9(5-7)15-11-3-1-2-10(14)16-11/h1-6H,(H3,14,15,16).
What are the key properties of 6-N-(3,5-dichlorophenyl)pyridine-2,6-diamine?
6-N-(3,5-dichlorophenyl)pyridine-2,6-diamine has a molecular weight of 254.12 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,5-dichlorophenyl)pyridine-2,6-diamine is sourced from PubChem (CID 80647643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).