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

C11H9ClFN3 — CID 61467027

IUPAC2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine
SMILESNc1ccc(Nc2ccc(Cl)c(F)c2)nc1
InChIInChI=1S/C11H9ClFN3/c12-9-3-2-8(5-10(9)13)16-11-4-1-7(14)6-15-11/h1-6H,14H2,(H,15,16)
InChIKeyRZGAXZSETXPSLV-UHFFFAOYSA-N
MW237.67 g/mol
LogP3.20
Rot. Bonds2

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

2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine (PubChem CID 61467027) has the molecular formula C11H9ClFN3 and a molecular weight of 237.67 g/mol. Its IUPAC name is 2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine
PubChem CID61467027
Molecular FormulaC11H9ClFN3
Molecular Weight237.67 g/mol
Exact Mass237.05
IUPAC Name2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine
SMILESNc1ccc(Nc2ccc(Cl)c(F)c2)nc1
InChIInChI=1S/C11H9ClFN3/c12-9-3-2-8(5-10(9)13)16-11-4-1-7(14)6-15-11/h1-6H,14H2,(H,15,16)
InChIKeyRZGAXZSETXPSLV-UHFFFAOYSA-N
XLogP3.20
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.67
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_no_alk_A(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine?
The IUPAC name of 2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine (CID 61467027) is 2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine is Nc1ccc(Nc2ccc(Cl)c(F)c2)nc1.
What is the InChIKey of 2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine?
The InChIKey is RZGAXZSETXPSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3/c12-9-3-2-8(5-10(9)13)16-11-4-1-7(14)6-15-11/h1-6H,14H2,(H,15,16).
What are the key properties of 2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine?
2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine has a molecular weight of 237.67 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine is sourced from PubChem (CID 61467027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).