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

C11H8Cl2FN3 — CID 114070545

IUPAC6-chloro-2-N-(5-chloro-2-fluorophenyl)pyridine-2,4-diamine
SMILESNc1cc(Cl)nc(Nc2cc(Cl)ccc2F)c1
InChIInChI=1S/C11H8Cl2FN3/c12-6-1-2-8(14)9(3-6)16-11-5-7(15)4-10(13)17-11/h1-5H,(H3,15,16,17)
InChIKeyKGQLRXVPLGVOQU-UHFFFAOYSA-N
MW272.11 g/mol
LogP3.85
Rot. Bonds2

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

6-chloro-2-N-(5-chloro-2-fluorophenyl)pyridine-2,4-diamine (PubChem CID 114070545) has the molecular formula C11H8Cl2FN3 and a molecular weight of 272.11 g/mol. Its IUPAC name is 6-chloro-2-N-(5-chloro-2-fluorophenyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(5-chloro-2-fluorophenyl)pyridine-2,4-diamine
PubChem CID114070545
Molecular FormulaC11H8Cl2FN3
Molecular Weight272.11 g/mol
Exact Mass271.01
IUPAC Name6-chloro-2-N-(5-chloro-2-fluorophenyl)pyridine-2,4-diamine
SMILESNc1cc(Cl)nc(Nc2cc(Cl)ccc2F)c1
InChIInChI=1S/C11H8Cl2FN3/c12-6-1-2-8(14)9(3-6)16-11-5-7(15)4-10(13)17-11/h1-5H,(H3,15,16,17)
InChIKeyKGQLRXVPLGVOQU-UHFFFAOYSA-N
XLogP3.85
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.11
LogP ≤ 53.85
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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Related Compounds

6-chloro-N-(5-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715497
6-chloro-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767179
6-chloro-2-N-(3,5-difluorophenyl)pyridine-2,4-diamine
CID 114070537
4-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770731
6-chloro-2-N-(2,5-dimethylphenyl)pyridine-2,4-diamine
CID 114070533
4-N-(5-chloro-2-fluorophenyl)-2-ethylpyrimidine-4,6-diamine
CID 80934192
6-chloro-N-(2-fluoro-5-methylphenyl)-2-methylpyrimidin-4-amine
CID 62481306
N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80906036
2-N-(5-chloro-2-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80780587
N-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80964867
N-(5-bromo-2-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 62482336
2-tert-butyl-4-N-(5-chloro-2-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80960482

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(5-chloro-2-fluorophenyl)pyridine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(5-chloro-2-fluorophenyl)pyridine-2,4-diamine (CID 114070545) is 6-chloro-2-N-(5-chloro-2-fluorophenyl)pyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(5-chloro-2-fluorophenyl)pyridine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(5-chloro-2-fluorophenyl)pyridine-2,4-diamine is Nc1cc(Cl)nc(Nc2cc(Cl)ccc2F)c1.
What is the InChIKey of 6-chloro-2-N-(5-chloro-2-fluorophenyl)pyridine-2,4-diamine?
The InChIKey is KGQLRXVPLGVOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2FN3/c12-6-1-2-8(14)9(3-6)16-11-5-7(15)4-10(13)17-11/h1-5H,(H3,15,16,17).
What are the key properties of 6-chloro-2-N-(5-chloro-2-fluorophenyl)pyridine-2,4-diamine?
6-chloro-2-N-(5-chloro-2-fluorophenyl)pyridine-2,4-diamine has a molecular weight of 272.11 g/mol, XLogP of 3.85, 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-(5-chloro-2-fluorophenyl)pyridine-2,4-diamine is sourced from PubChem (CID 114070545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).