2-(2-fluoro-4-pyridinyl)benzene-1,4-diamine

C11H10FN3 — CID 18415383

IUPAC2-(2-fluoro-4-pyridinyl)benzene-1,4-diamine
SMILESNc1ccc(N)c(-c2ccnc(F)c2)c1
InChIInChI=1S/C11H10FN3/c12-11-5-7(3-4-15-11)9-6-8(13)1-2-10(9)14/h1-6H,13-14H2
InChIKeyABDUNWGRUXBFCZ-UHFFFAOYSA-N
MW203.22 g/mol
LogP2.05
Rot. Bonds1

About 2-(2-fluoro-4-pyridinyl)benzene-1,4-diamine

2-(2-fluoro-4-pyridinyl)benzene-1,4-diamine (PubChem CID 18415383) has the molecular formula C11H10FN3 and a molecular weight of 203.22 g/mol. Its IUPAC name is 2-(2-fluoro-4-pyridinyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(2-fluoro-4-pyridinyl)benzene-1,4-diamine
PubChem CID18415383
Molecular FormulaC11H10FN3
Molecular Weight203.22 g/mol
Exact Mass203.09
IUPAC Name2-(2-fluoro-4-pyridinyl)benzene-1,4-diamine
SMILESNc1ccc(N)c(-c2ccnc(F)c2)c1
InChIInChI=1S/C11H10FN3/c12-11-5-7(3-4-15-11)9-6-8(13)1-2-10(9)14/h1-6H,13-14H2
InChIKeyABDUNWGRUXBFCZ-UHFFFAOYSA-N
XLogP2.05
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-fluoro-4-pyridinyl)benzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-pyridinyl)benzene-1,4-diamine?
The IUPAC name of 2-(2-fluoro-4-pyridinyl)benzene-1,4-diamine (CID 18415383) is 2-(2-fluoro-4-pyridinyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(2-fluoro-4-pyridinyl)benzene-1,4-diamine?
The canonical SMILES for 2-(2-fluoro-4-pyridinyl)benzene-1,4-diamine is Nc1ccc(N)c(-c2ccnc(F)c2)c1.
What is the InChIKey of 2-(2-fluoro-4-pyridinyl)benzene-1,4-diamine?
The InChIKey is ABDUNWGRUXBFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3/c12-11-5-7(3-4-15-11)9-6-8(13)1-2-10(9)14/h1-6H,13-14H2.
What are the key properties of 2-(2-fluoro-4-pyridinyl)benzene-1,4-diamine?
2-(2-fluoro-4-pyridinyl)benzene-1,4-diamine has a molecular weight of 203.22 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-pyridinyl)benzene-1,4-diamine is sourced from PubChem (CID 18415383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).