6-chloro-3-fluoro-N-(4-fluorophenyl)pyridin-2-amine

C11H7ClF2N2 — CID 90134132

IUPAC6-chloro-3-fluoro-N-(4-fluorophenyl)pyridin-2-amine
SMILESFc1ccc(Nc2nc(Cl)ccc2F)cc1
InChIInChI=1S/C11H7ClF2N2/c12-10-6-5-9(14)11(16-10)15-8-3-1-7(13)2-4-8/h1-6H,(H,15,16)
InChIKeyXSALDSNTLJLXOE-UHFFFAOYSA-N
MW240.64 g/mol
LogP3.76
Rot. Bonds2

About 6-chloro-3-fluoro-N-(4-fluorophenyl)pyridin-2-amine

6-chloro-3-fluoro-N-(4-fluorophenyl)pyridin-2-amine (PubChem CID 90134132) has the molecular formula C11H7ClF2N2 and a molecular weight of 240.64 g/mol. Its IUPAC name is 6-chloro-3-fluoro-N-(4-fluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-3-fluoro-N-(4-fluorophenyl)pyridin-2-amine
PubChem CID90134132
Molecular FormulaC11H7ClF2N2
Molecular Weight240.64 g/mol
Exact Mass240.03
IUPAC Name6-chloro-3-fluoro-N-(4-fluorophenyl)pyridin-2-amine
SMILESFc1ccc(Nc2nc(Cl)ccc2F)cc1
InChIInChI=1S/C11H7ClF2N2/c12-10-6-5-9(14)11(16-10)15-8-3-1-7(13)2-4-8/h1-6H,(H,15,16)
InChIKeyXSALDSNTLJLXOE-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.64
LogP ≤ 53.76
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-3-fluoro-N-(4-fluorophenyl)pyridin-2-amine?
The IUPAC name of 6-chloro-3-fluoro-N-(4-fluorophenyl)pyridin-2-amine (CID 90134132) is 6-chloro-3-fluoro-N-(4-fluorophenyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-3-fluoro-N-(4-fluorophenyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-3-fluoro-N-(4-fluorophenyl)pyridin-2-amine is Fc1ccc(Nc2nc(Cl)ccc2F)cc1.
What is the InChIKey of 6-chloro-3-fluoro-N-(4-fluorophenyl)pyridin-2-amine?
The InChIKey is XSALDSNTLJLXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2/c12-10-6-5-9(14)11(16-10)15-8-3-1-7(13)2-4-8/h1-6H,(H,15,16).
What are the key properties of 6-chloro-3-fluoro-N-(4-fluorophenyl)pyridin-2-amine?
6-chloro-3-fluoro-N-(4-fluorophenyl)pyridin-2-amine has a molecular weight of 240.64 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-fluoro-N-(4-fluorophenyl)pyridin-2-amine is sourced from PubChem (CID 90134132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).