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

C11H7F3N2 — CID 115503110

IUPAC3-(2,4,5-trifluorophenyl)pyridin-2-amine
SMILESNc1ncccc1-c1cc(F)c(F)cc1F
InChIInChI=1S/C11H7F3N2/c12-8-5-10(14)9(13)4-7(8)6-2-1-3-16-11(6)15/h1-5H,(H2,15,16)
InChIKeyWBCWODHGVXJGIG-UHFFFAOYSA-N
MW224.19 g/mol
LogP2.75
Rot. Bonds1

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

3-(2,4,5-trifluorophenyl)pyridin-2-amine (PubChem CID 115503110) has the molecular formula C11H7F3N2 and a molecular weight of 224.19 g/mol. Its IUPAC name is 3-(2,4,5-trifluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(2,4,5-trifluorophenyl)pyridin-2-amine
PubChem CID115503110
Molecular FormulaC11H7F3N2
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC Name3-(2,4,5-trifluorophenyl)pyridin-2-amine
SMILESNc1ncccc1-c1cc(F)c(F)cc1F
InChIInChI=1S/C11H7F3N2/c12-8-5-10(14)9(13)4-7(8)6-2-1-3-16-11(6)15/h1-5H,(H2,15,16)
InChIKeyWBCWODHGVXJGIG-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_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloro-4,5-difluorophenyl)pyridin-2-amine
CID 107476818
3-(2-amino-3-pyridinyl)pyridin-2-amine
CID 1236677
3-(2-aminophenyl)pyridin-2-amine
CID 130114605
3-(2,4,5-trichlorophenyl)pyridin-2-amine
CID 119020095
3-[3-(3,4-difluorophenyl)imidazol-4-yl]pyridin-2-amine
CID 114717143
2-(2,4,5-trifluorophenyl)pyrimidine;dihydrochloride
CID 139780205
1,2,4-trifluoro-5-(2,4,5-trifluorophenyl)benzene
CID 58769561
3-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 97058186
3-(5-chloro-2-methyl-4-pyridinyl)pyridin-2-amine
CID 143908292
3-[2-(3,4-difluorophenyl)ethyl]pyridin-2-amine
CID 82924582
3-[(4-bromo-2-fluorophenyl)methoxy]pyridin-2-amine
CID 43438660
6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine
CID 90094988

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,5-trifluorophenyl)pyridin-2-amine?
The IUPAC name of 3-(2,4,5-trifluorophenyl)pyridin-2-amine (CID 115503110) is 3-(2,4,5-trifluorophenyl)pyridin-2-amine.
What is the SMILES notation for 3-(2,4,5-trifluorophenyl)pyridin-2-amine?
The canonical SMILES for 3-(2,4,5-trifluorophenyl)pyridin-2-amine is Nc1ncccc1-c1cc(F)c(F)cc1F.
What is the InChIKey of 3-(2,4,5-trifluorophenyl)pyridin-2-amine?
The InChIKey is WBCWODHGVXJGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2/c12-8-5-10(14)9(13)4-7(8)6-2-1-3-16-11(6)15/h1-5H,(H2,15,16).
What are the key properties of 3-(2,4,5-trifluorophenyl)pyridin-2-amine?
3-(2,4,5-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 3-(2,4,5-trifluorophenyl)pyridin-2-amine is sourced from PubChem (CID 115503110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).