2-fluoro-3-pyridin-2-ylaniline

C11H9FN2 — CID 176913716

IUPAC2-fluoro-3-pyridin-2-ylaniline
SMILESNc1cccc(-c2ccccn2)c1F
InChIInChI=1S/C11H9FN2/c12-11-8(4-3-5-9(11)13)10-6-1-2-7-14-10/h1-7H,13H2
InChIKeyFFXMVSNOHLTZCF-UHFFFAOYSA-N
MW188.21 g/mol
LogP2.47
Rot. Bonds1

About 2-fluoro-3-pyridin-2-ylaniline

2-fluoro-3-pyridin-2-ylaniline (PubChem CID 176913716) has the molecular formula C11H9FN2 and a molecular weight of 188.21 g/mol. Its IUPAC name is 2-fluoro-3-pyridin-2-ylaniline.

Molecular Properties

Compound Name2-fluoro-3-pyridin-2-ylaniline
PubChem CID176913716
Molecular FormulaC11H9FN2
Molecular Weight188.21 g/mol
Exact Mass188.07
IUPAC Name2-fluoro-3-pyridin-2-ylaniline
SMILESNc1cccc(-c2ccccn2)c1F
InChIInChI=1S/C11H9FN2/c12-11-8(4-3-5-9(11)13)10-6-1-2-7-14-10/h1-7H,13H2
InChIKeyFFXMVSNOHLTZCF-UHFFFAOYSA-N
XLogP2.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-3-methylphenyl)pyridine
CID 175536337
2-(3-pyridin-2-yl-2-pyridinyl)pyridin-3-amine
CID 67060209
2-methoxy-3-pyridin-2-ylaniline
CID 171626476
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
4-pyridin-2-ylnaphthalen-1-amine
CID 23120766
cesium 2,6-dipyridin-2-ylphenolate
CID 59522981
4-(2,3-difluorophenyl)-2-pyridin-2-ylpyrimidine
CID 70215550
5-fluoro-2-pyridin-2-yl-4-(trifluoromethyl)aniline
CID 163811294
2,6-bis(2-pyridin-2-ylphenyl)phenol
CID 175876654
2-pyridin-2-ylphenol;hydrate
CID 175244966
2-[2-[2-(2-pyridin-2-ylphenyl)ethenyl]phenyl]pyridine
CID 154584408
2-(2-methylphenyl)pyridine
CID 144596153

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-pyridin-2-ylaniline?
The IUPAC name of 2-fluoro-3-pyridin-2-ylaniline (CID 176913716) is 2-fluoro-3-pyridin-2-ylaniline.
What is the SMILES notation for 2-fluoro-3-pyridin-2-ylaniline?
The canonical SMILES for 2-fluoro-3-pyridin-2-ylaniline is Nc1cccc(-c2ccccn2)c1F.
What is the InChIKey of 2-fluoro-3-pyridin-2-ylaniline?
The InChIKey is FFXMVSNOHLTZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2/c12-11-8(4-3-5-9(11)13)10-6-1-2-7-14-10/h1-7H,13H2.
What are the key properties of 2-fluoro-3-pyridin-2-ylaniline?
2-fluoro-3-pyridin-2-ylaniline has a molecular weight of 188.21 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-pyridin-2-ylaniline is sourced from PubChem (CID 176913716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).