2-fluoro-4-(6-fluoro-3-pyridinyl)-5-methylaniline

C12H10F2N2 — CID 172564495

IUPAC2-fluoro-4-(6-fluoro-3-pyridinyl)-5-methylaniline
SMILESCc1cc(N)c(F)cc1-c1ccc(F)nc1
InChIInChI=1S/C12H10F2N2/c1-7-4-11(15)10(13)5-9(7)8-2-3-12(14)16-6-8/h2-6H,15H2,1H3
InChIKeyLAIXAXVETQKABL-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.92
Rot. Bonds1

About 2-fluoro-4-(6-fluoro-3-pyridinyl)-5-methylaniline

2-fluoro-4-(6-fluoro-3-pyridinyl)-5-methylaniline (PubChem CID 172564495) has the molecular formula C12H10F2N2 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-fluoro-4-(6-fluoro-3-pyridinyl)-5-methylaniline.

Molecular Properties

Compound Name2-fluoro-4-(6-fluoro-3-pyridinyl)-5-methylaniline
PubChem CID172564495
Molecular FormulaC12H10F2N2
Molecular Weight220.22 g/mol
Exact Mass220.08
IUPAC Name2-fluoro-4-(6-fluoro-3-pyridinyl)-5-methylaniline
SMILESCc1cc(N)c(F)cc1-c1ccc(F)nc1
InChIInChI=1S/C12H10F2N2/c1-7-4-11(15)10(13)5-9(7)8-2-3-12(14)16-6-8/h2-6H,15H2,1H3
InChIKeyLAIXAXVETQKABL-UHFFFAOYSA-N
XLogP2.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(6-fluoro-3-pyridinyl)-5-methylaniline?
The IUPAC name of 2-fluoro-4-(6-fluoro-3-pyridinyl)-5-methylaniline (CID 172564495) is 2-fluoro-4-(6-fluoro-3-pyridinyl)-5-methylaniline.
What is the SMILES notation for 2-fluoro-4-(6-fluoro-3-pyridinyl)-5-methylaniline?
The canonical SMILES for 2-fluoro-4-(6-fluoro-3-pyridinyl)-5-methylaniline is Cc1cc(N)c(F)cc1-c1ccc(F)nc1.
What is the InChIKey of 2-fluoro-4-(6-fluoro-3-pyridinyl)-5-methylaniline?
The InChIKey is LAIXAXVETQKABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2/c1-7-4-11(15)10(13)5-9(7)8-2-3-12(14)16-6-8/h2-6H,15H2,1H3.
What are the key properties of 2-fluoro-4-(6-fluoro-3-pyridinyl)-5-methylaniline?
2-fluoro-4-(6-fluoro-3-pyridinyl)-5-methylaniline has a molecular weight of 220.22 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(6-fluoro-3-pyridinyl)-5-methylaniline is sourced from PubChem (CID 172564495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).