4-(2,3,5,6-tetrachlorophenyl)pyridin-2-amine

C11H6Cl4N2 — CID 102821923

IUPAC4-(2,3,5,6-tetrachlorophenyl)pyridin-2-amine
SMILESNc1cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)ccn1
InChIInChI=1S/C11H6Cl4N2/c12-6-4-7(13)11(15)9(10(6)14)5-1-2-17-8(16)3-5/h1-4H,(H2,16,17)
InChIKeyWYJMVPHEHNLIJP-UHFFFAOYSA-N
MW308.00 g/mol
LogP4.94
Rot. Bonds1

About 4-(2,3,5,6-tetrachlorophenyl)pyridin-2-amine

4-(2,3,5,6-tetrachlorophenyl)pyridin-2-amine (PubChem CID 102821923) has the molecular formula C11H6Cl4N2 and a molecular weight of 308.00 g/mol. Its IUPAC name is 4-(2,3,5,6-tetrachlorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(2,3,5,6-tetrachlorophenyl)pyridin-2-amine
PubChem CID102821923
Molecular FormulaC11H6Cl4N2
Molecular Weight308.00 g/mol
Exact Mass305.93
IUPAC Name4-(2,3,5,6-tetrachlorophenyl)pyridin-2-amine
SMILESNc1cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)ccn1
InChIInChI=1S/C11H6Cl4N2/c12-6-4-7(13)11(15)9(10(6)14)5-1-2-17-8(16)3-5/h1-4H,(H2,16,17)
InChIKeyWYJMVPHEHNLIJP-UHFFFAOYSA-N
XLogP4.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.00
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5,6-tetrachlorophenyl)pyridin-2-amine?
The IUPAC name of 4-(2,3,5,6-tetrachlorophenyl)pyridin-2-amine (CID 102821923) is 4-(2,3,5,6-tetrachlorophenyl)pyridin-2-amine.
What is the SMILES notation for 4-(2,3,5,6-tetrachlorophenyl)pyridin-2-amine?
The canonical SMILES for 4-(2,3,5,6-tetrachlorophenyl)pyridin-2-amine is Nc1cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)ccn1.
What is the InChIKey of 4-(2,3,5,6-tetrachlorophenyl)pyridin-2-amine?
The InChIKey is WYJMVPHEHNLIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl4N2/c12-6-4-7(13)11(15)9(10(6)14)5-1-2-17-8(16)3-5/h1-4H,(H2,16,17).
What are the key properties of 4-(2,3,5,6-tetrachlorophenyl)pyridin-2-amine?
4-(2,3,5,6-tetrachlorophenyl)pyridin-2-amine has a molecular weight of 308.00 g/mol, XLogP of 4.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5,6-tetrachlorophenyl)pyridin-2-amine is sourced from PubChem (CID 102821923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).