3-fluoro-2-N-pyridin-4-ylbenzene-1,2-diamine

C11H10FN3 — CID 115125636

IUPAC3-fluoro-2-N-pyridin-4-ylbenzene-1,2-diamine
SMILESNc1cccc(F)c1Nc1ccncc1
InChIInChI=1S/C11H10FN3/c12-9-2-1-3-10(13)11(9)15-8-4-6-14-7-5-8/h1-7H,13H2,(H,14,15)
InChIKeyICPMMSOUBIGRDT-UHFFFAOYSA-N
MW203.22 g/mol
LogP2.55
Rot. Bonds2

About 3-fluoro-2-N-pyridin-4-ylbenzene-1,2-diamine

3-fluoro-2-N-pyridin-4-ylbenzene-1,2-diamine (PubChem CID 115125636) has the molecular formula C11H10FN3 and a molecular weight of 203.22 g/mol. Its IUPAC name is 3-fluoro-2-N-pyridin-4-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-2-N-pyridin-4-ylbenzene-1,2-diamine
PubChem CID115125636
Molecular FormulaC11H10FN3
Molecular Weight203.22 g/mol
Exact Mass203.09
IUPAC Name3-fluoro-2-N-pyridin-4-ylbenzene-1,2-diamine
SMILESNc1cccc(F)c1Nc1ccncc1
InChIInChI=1S/C11H10FN3/c12-9-2-1-3-10(13)11(9)15-8-4-6-14-7-5-8/h1-7H,13H2,(H,14,15)
InChIKeyICPMMSOUBIGRDT-UHFFFAOYSA-N
XLogP2.55
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-N-pyridin-4-ylbenzene-1,2-diamine?
The IUPAC name of 3-fluoro-2-N-pyridin-4-ylbenzene-1,2-diamine (CID 115125636) is 3-fluoro-2-N-pyridin-4-ylbenzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-2-N-pyridin-4-ylbenzene-1,2-diamine?
The canonical SMILES for 3-fluoro-2-N-pyridin-4-ylbenzene-1,2-diamine is Nc1cccc(F)c1Nc1ccncc1.
What is the InChIKey of 3-fluoro-2-N-pyridin-4-ylbenzene-1,2-diamine?
The InChIKey is ICPMMSOUBIGRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3/c12-9-2-1-3-10(13)11(9)15-8-4-6-14-7-5-8/h1-7H,13H2,(H,14,15).
What are the key properties of 3-fluoro-2-N-pyridin-4-ylbenzene-1,2-diamine?
3-fluoro-2-N-pyridin-4-ylbenzene-1,2-diamine has a molecular weight of 203.22 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-N-pyridin-4-ylbenzene-1,2-diamine is sourced from PubChem (CID 115125636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).