5-(2,3-difluorophenyl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine

C18H11F5N2O — CID 162637331

IUPAC5-(2,3-difluorophenyl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESFc1cccc(-c2ccc(Nc3cccc(OC(F)(F)F)c3)nc2)c1F
InChIInChI=1S/C18H11F5N2O/c19-15-6-2-5-14(17(15)20)11-7-8-16(24-10-11)25-12-3-1-4-13(9-12)26-18(21,22)23/h1-10H,(H,24,25)
InChIKeyOUEURMVIUDPTRK-UHFFFAOYSA-N
MW366.29 g/mol
LogP5.67
Rot. Bonds4

About 5-(2,3-difluorophenyl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine

5-(2,3-difluorophenyl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine (PubChem CID 162637331) has the molecular formula C18H11F5N2O and a molecular weight of 366.29 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
PubChem CID162637331
Molecular FormulaC18H11F5N2O
Molecular Weight366.29 g/mol
Exact Mass366.08
IUPAC Name5-(2,3-difluorophenyl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESFc1cccc(-c2ccc(Nc3cccc(OC(F)(F)F)c3)nc2)c1F
InChIInChI=1S/C18H11F5N2O/c19-15-6-2-5-14(17(15)20)11-7-8-16(24-10-11)25-12-3-1-4-13(9-12)26-18(21,22)23/h1-10H,(H,24,25)
InChIKeyOUEURMVIUDPTRK-UHFFFAOYSA-N
XLogP5.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.29
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide
CID 68563416
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
1-[3-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]propan-2-one
CID 68560170
N-[5-(2,3-difluorophenyl)-2-pyridinyl]-1H-indazol-5-amine
CID 162631226
1-[2-methyl-4-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]butan-2-one
CID 143998760
1,2-difluoro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 118854668
N-[2-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]-3-[[3-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]sulfamoyl]propanamide
CID 90890348
N-[5-(2,3-difluorophenyl)-2-pyridinyl]-1,3-thiazol-4-amine
CID 162633744
6-chloro-N-[3-(trifluoromethoxy)phenyl]pyridazin-3-amine
CID 43151729
1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine
CID 19351987
5-(2,3-difluorophenyl)-2-fluoropyridine
CID 133088992
2-N-[(2-fluorophenyl)methyl]-1-methyl-6-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine-2,6-diamine
CID 155543613

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine?
The IUPAC name of 5-(2,3-difluorophenyl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine (CID 162637331) is 5-(2,3-difluorophenyl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine.
What is the SMILES notation for 5-(2,3-difluorophenyl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine?
The canonical SMILES for 5-(2,3-difluorophenyl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine is Fc1cccc(-c2ccc(Nc3cccc(OC(F)(F)F)c3)nc2)c1F.
What is the InChIKey of 5-(2,3-difluorophenyl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine?
The InChIKey is OUEURMVIUDPTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F5N2O/c19-15-6-2-5-14(17(15)20)11-7-8-16(24-10-11)25-12-3-1-4-13(9-12)26-18(21,22)23/h1-10H,(H,24,25).
What are the key properties of 5-(2,3-difluorophenyl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine?
5-(2,3-difluorophenyl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine has a molecular weight of 366.29 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenyl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine is sourced from PubChem (CID 162637331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).