6-chloro-N-(4-chlorophenyl)-3-fluoropyridin-2-amine

C11H7Cl2FN2 — CID 90134265

IUPAC6-chloro-N-(4-chlorophenyl)-3-fluoropyridin-2-amine
SMILESFc1ccc(Cl)nc1Nc1ccc(Cl)cc1
InChIInChI=1S/C11H7Cl2FN2/c12-7-1-3-8(4-2-7)15-11-9(14)5-6-10(13)16-11/h1-6H,(H,15,16)
InChIKeyCSHXZZIPAGPMAG-UHFFFAOYSA-N
MW257.10 g/mol
LogP4.27
Rot. Bonds2

About 6-chloro-N-(4-chlorophenyl)-3-fluoropyridin-2-amine

6-chloro-N-(4-chlorophenyl)-3-fluoropyridin-2-amine (PubChem CID 90134265) has the molecular formula C11H7Cl2FN2 and a molecular weight of 257.10 g/mol. Its IUPAC name is 6-chloro-N-(4-chlorophenyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(4-chlorophenyl)-3-fluoropyridin-2-amine
PubChem CID90134265
Molecular FormulaC11H7Cl2FN2
Molecular Weight257.10 g/mol
Exact Mass256.00
IUPAC Name6-chloro-N-(4-chlorophenyl)-3-fluoropyridin-2-amine
SMILESFc1ccc(Cl)nc1Nc1ccc(Cl)cc1
InChIInChI=1S/C11H7Cl2FN2/c12-7-1-3-8(4-2-7)15-11-9(14)5-6-10(13)16-11/h1-6H,(H,15,16)
InChIKeyCSHXZZIPAGPMAG-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.10
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chlorophenyl)-3-fluoropyridin-2-amine?
The IUPAC name of 6-chloro-N-(4-chlorophenyl)-3-fluoropyridin-2-amine (CID 90134265) is 6-chloro-N-(4-chlorophenyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(4-chlorophenyl)-3-fluoropyridin-2-amine?
The canonical SMILES for 6-chloro-N-(4-chlorophenyl)-3-fluoropyridin-2-amine is Fc1ccc(Cl)nc1Nc1ccc(Cl)cc1.
What is the InChIKey of 6-chloro-N-(4-chlorophenyl)-3-fluoropyridin-2-amine?
The InChIKey is CSHXZZIPAGPMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2/c12-7-1-3-8(4-2-7)15-11-9(14)5-6-10(13)16-11/h1-6H,(H,15,16).
What are the key properties of 6-chloro-N-(4-chlorophenyl)-3-fluoropyridin-2-amine?
6-chloro-N-(4-chlorophenyl)-3-fluoropyridin-2-amine has a molecular weight of 257.10 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chlorophenyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 90134265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).