2-fluoro-5-(1,2,3,6-tetrahydropyridin-5-yl)aniline

C11H13FN2 — CID 167902971

IUPAC2-fluoro-5-(1,2,3,6-tetrahydropyridin-5-yl)aniline
SMILESNc1cc(C2=CCCNC2)ccc1F
InChIInChI=1S/C11H13FN2/c12-10-4-3-8(6-11(10)13)9-2-1-5-14-7-9/h2-4,6,14H,1,5,7,13H2
InChIKeyPATPSGVGAQBUDP-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.78
Rot. Bonds1

About 2-fluoro-5-(1,2,3,6-tetrahydropyridin-5-yl)aniline

2-fluoro-5-(1,2,3,6-tetrahydropyridin-5-yl)aniline (PubChem CID 167902971) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-fluoro-5-(1,2,3,6-tetrahydropyridin-5-yl)aniline.

Molecular Properties

Compound Name2-fluoro-5-(1,2,3,6-tetrahydropyridin-5-yl)aniline
PubChem CID167902971
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name2-fluoro-5-(1,2,3,6-tetrahydropyridin-5-yl)aniline
SMILESNc1cc(C2=CCCNC2)ccc1F
InChIInChI=1S/C11H13FN2/c12-10-4-3-8(6-11(10)13)9-2-1-5-14-7-9/h2-4,6,14H,1,5,7,13H2
InChIKeyPATPSGVGAQBUDP-UHFFFAOYSA-N
XLogP1.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.78
H-Bond Donors ≤ 52
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 2-fluoro-5-(1,2,3,6-tetrahydropyridin-5-yl)aniline?
The IUPAC name of 2-fluoro-5-(1,2,3,6-tetrahydropyridin-5-yl)aniline (CID 167902971) is 2-fluoro-5-(1,2,3,6-tetrahydropyridin-5-yl)aniline.
What is the SMILES notation for 2-fluoro-5-(1,2,3,6-tetrahydropyridin-5-yl)aniline?
The canonical SMILES for 2-fluoro-5-(1,2,3,6-tetrahydropyridin-5-yl)aniline is Nc1cc(C2=CCCNC2)ccc1F.
What is the InChIKey of 2-fluoro-5-(1,2,3,6-tetrahydropyridin-5-yl)aniline?
The InChIKey is PATPSGVGAQBUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c12-10-4-3-8(6-11(10)13)9-2-1-5-14-7-9/h2-4,6,14H,1,5,7,13H2.
What are the key properties of 2-fluoro-5-(1,2,3,6-tetrahydropyridin-5-yl)aniline?
2-fluoro-5-(1,2,3,6-tetrahydropyridin-5-yl)aniline has a molecular weight of 192.24 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1,2,3,6-tetrahydropyridin-5-yl)aniline is sourced from PubChem (CID 167902971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).