4-chloro-2-(5-fluoro-3-pyridinyl)aniline

C11H8ClFN2 — CID 81275393

IUPAC4-chloro-2-(5-fluoro-3-pyridinyl)aniline
SMILESNc1ccc(Cl)cc1-c1cncc(F)c1
InChIInChI=1S/C11H8ClFN2/c12-8-1-2-11(14)10(4-8)7-3-9(13)6-15-5-7/h1-6H,14H2
InChIKeyYCDQNNPPBXELSF-UHFFFAOYSA-N
MW222.65 g/mol
LogP3.12
Rot. Bonds1

About 4-chloro-2-(5-fluoro-3-pyridinyl)aniline

4-chloro-2-(5-fluoro-3-pyridinyl)aniline (PubChem CID 81275393) has the molecular formula C11H8ClFN2 and a molecular weight of 222.65 g/mol. Its IUPAC name is 4-chloro-2-(5-fluoro-3-pyridinyl)aniline.

Molecular Properties

Compound Name4-chloro-2-(5-fluoro-3-pyridinyl)aniline
PubChem CID81275393
Molecular FormulaC11H8ClFN2
Molecular Weight222.65 g/mol
Exact Mass222.04
IUPAC Name4-chloro-2-(5-fluoro-3-pyridinyl)aniline
SMILESNc1ccc(Cl)cc1-c1cncc(F)c1
InChIInChI=1S/C11H8ClFN2/c12-8-1-2-11(14)10(4-8)7-3-9(13)6-15-5-7/h1-6H,14H2
InChIKeyYCDQNNPPBXELSF-UHFFFAOYSA-N
XLogP3.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.65
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-fluoro-3-pyridinyl)aniline?
The IUPAC name of 4-chloro-2-(5-fluoro-3-pyridinyl)aniline (CID 81275393) is 4-chloro-2-(5-fluoro-3-pyridinyl)aniline.
What is the SMILES notation for 4-chloro-2-(5-fluoro-3-pyridinyl)aniline?
The canonical SMILES for 4-chloro-2-(5-fluoro-3-pyridinyl)aniline is Nc1ccc(Cl)cc1-c1cncc(F)c1.
What is the InChIKey of 4-chloro-2-(5-fluoro-3-pyridinyl)aniline?
The InChIKey is YCDQNNPPBXELSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2/c12-8-1-2-11(14)10(4-8)7-3-9(13)6-15-5-7/h1-6H,14H2.
What are the key properties of 4-chloro-2-(5-fluoro-3-pyridinyl)aniline?
4-chloro-2-(5-fluoro-3-pyridinyl)aniline has a molecular weight of 222.65 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-fluoro-3-pyridinyl)aniline is sourced from PubChem (CID 81275393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).