4-(3,4,5-trifluorophenyl)pyridin-2-amine

C11H7F3N2 — CID 104877310

IUPAC4-(3,4,5-trifluorophenyl)pyridin-2-amine
SMILESNc1cc(-c2cc(F)c(F)c(F)c2)ccn1
InChIInChI=1S/C11H7F3N2/c12-8-3-7(4-9(13)11(8)14)6-1-2-16-10(15)5-6/h1-5H,(H2,15,16)
InChIKeyPBXFXRHHWIVJPD-UHFFFAOYSA-N
MW224.19 g/mol
LogP2.75
Rot. Bonds1

About 4-(3,4,5-trifluorophenyl)pyridin-2-amine

4-(3,4,5-trifluorophenyl)pyridin-2-amine (PubChem CID 104877310) has the molecular formula C11H7F3N2 and a molecular weight of 224.19 g/mol. Its IUPAC name is 4-(3,4,5-trifluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(3,4,5-trifluorophenyl)pyridin-2-amine
PubChem CID104877310
Molecular FormulaC11H7F3N2
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC Name4-(3,4,5-trifluorophenyl)pyridin-2-amine
SMILESNc1cc(-c2cc(F)c(F)c(F)c2)ccn1
InChIInChI=1S/C11H7F3N2/c12-8-3-7(4-9(13)11(8)14)6-1-2-16-10(15)5-6/h1-5H,(H2,15,16)
InChIKeyPBXFXRHHWIVJPD-UHFFFAOYSA-N
XLogP2.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(2,3,4-trifluorophenyl)pyridin-2-amine
CID 104877319
4-quinoxalin-6-ylpyridin-2-amine
CID 46196144
5-(2-amino-4-pyridinyl)pyridin-2-amine
CID 69116812
4-(3,4-dimethylphenyl)pyridin-2-amine
CID 82398202
1,2,3-trifluoro-5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]benzene
CID 154500578
4-(4-ethenylphenyl)pyridin-2-amine
CID 142047543
[4-(2-amino-4-pyridinyl)phenyl]methanol
CID 50976559
4-[[4-(2-amino-4-pyridinyl)-2,6-difluorophenyl]methoxy]phenol;methanol;molecular hydrogen;propan-2-ol;hydrofluoride
CID 177004886
4-(3,4-diethylphenyl)pyridin-2-amine
CID 102821959
4-[4-(1H-pyrazol-5-yl)phenyl]pyridin-2-amine
CID 50969031
4-(1,3-benzodioxol-5-yl)pyridin-2-amine
CID 50951571
4-[3-(dimethylamino)phenyl]pyridin-2-amine
CID 82556008

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,5-trifluorophenyl)pyridin-2-amine?
The IUPAC name of 4-(3,4,5-trifluorophenyl)pyridin-2-amine (CID 104877310) is 4-(3,4,5-trifluorophenyl)pyridin-2-amine.
What is the SMILES notation for 4-(3,4,5-trifluorophenyl)pyridin-2-amine?
The canonical SMILES for 4-(3,4,5-trifluorophenyl)pyridin-2-amine is Nc1cc(-c2cc(F)c(F)c(F)c2)ccn1.
What is the InChIKey of 4-(3,4,5-trifluorophenyl)pyridin-2-amine?
The InChIKey is PBXFXRHHWIVJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2/c12-8-3-7(4-9(13)11(8)14)6-1-2-16-10(15)5-6/h1-5H,(H2,15,16).
What are the key properties of 4-(3,4,5-trifluorophenyl)pyridin-2-amine?
4-(3,4,5-trifluorophenyl)pyridin-2-amine has a molecular weight of 224.19 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,5-trifluorophenyl)pyridin-2-amine is sourced from PubChem (CID 104877310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).