6-chloro-2-N-(3,5-difluorophenyl)pyridine-2,4-diamine

C11H8ClF2N3 — CID 114070537

IUPAC6-chloro-2-N-(3,5-difluorophenyl)pyridine-2,4-diamine
SMILESNc1cc(Cl)nc(Nc2cc(F)cc(F)c2)c1
InChIInChI=1S/C11H8ClF2N3/c12-10-4-8(15)5-11(17-10)16-9-2-6(13)1-7(14)3-9/h1-5H,(H3,15,16,17)
InChIKeyGNTDRGVONIWKJG-UHFFFAOYSA-N
MW255.66 g/mol
LogP3.34
Rot. Bonds2

About 6-chloro-2-N-(3,5-difluorophenyl)pyridine-2,4-diamine

6-chloro-2-N-(3,5-difluorophenyl)pyridine-2,4-diamine (PubChem CID 114070537) has the molecular formula C11H8ClF2N3 and a molecular weight of 255.66 g/mol. Its IUPAC name is 6-chloro-2-N-(3,5-difluorophenyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(3,5-difluorophenyl)pyridine-2,4-diamine
PubChem CID114070537
Molecular FormulaC11H8ClF2N3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC Name6-chloro-2-N-(3,5-difluorophenyl)pyridine-2,4-diamine
SMILESNc1cc(Cl)nc(Nc2cc(F)cc(F)c2)c1
InChIInChI=1S/C11H8ClF2N3/c12-10-4-8(15)5-11(17-10)16-9-2-6(13)1-7(14)3-9/h1-5H,(H3,15,16,17)
InChIKeyGNTDRGVONIWKJG-UHFFFAOYSA-N
XLogP3.34
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-2-N-(3,5-difluorophenyl)pyridine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(3,5-difluorophenyl)pyridine-2,4-diamine (CID 114070537) is 6-chloro-2-N-(3,5-difluorophenyl)pyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(3,5-difluorophenyl)pyridine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(3,5-difluorophenyl)pyridine-2,4-diamine is Nc1cc(Cl)nc(Nc2cc(F)cc(F)c2)c1.
What is the InChIKey of 6-chloro-2-N-(3,5-difluorophenyl)pyridine-2,4-diamine?
The InChIKey is GNTDRGVONIWKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N3/c12-10-4-8(15)5-11(17-10)16-9-2-6(13)1-7(14)3-9/h1-5H,(H3,15,16,17).
What are the key properties of 6-chloro-2-N-(3,5-difluorophenyl)pyridine-2,4-diamine?
6-chloro-2-N-(3,5-difluorophenyl)pyridine-2,4-diamine has a molecular weight of 255.66 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(3,5-difluorophenyl)pyridine-2,4-diamine is sourced from PubChem (CID 114070537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).