3-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-amine

C9H7F3N4 — CID 102970472

IUPAC3-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C9H7F3N4/c10-9(11,12)6-4-15-8(16-6)5-2-1-3-14-7(5)13/h1-4H,(H2,13,14)(H,15,16)
InChIKeyVHWYSPSZWODFPT-UHFFFAOYSA-N
MW228.18 g/mol
LogP2.07
Rot. Bonds1

About 3-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-amine

3-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-amine (PubChem CID 102970472) has the molecular formula C9H7F3N4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 3-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-amine
PubChem CID102970472
Molecular FormulaC9H7F3N4
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name3-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C9H7F3N4/c10-9(11,12)6-4-15-8(16-6)5-2-1-3-14-7(5)13/h1-4H,(H2,13,14)(H,15,16)
InChIKeyVHWYSPSZWODFPT-UHFFFAOYSA-N
XLogP2.07
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-amino-3-pyridinyl)pyridin-2-amine
CID 1236677
3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyridin-2-amine
CID 106783896
2-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine
CID 22759818
2-[4-(chloromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole
CID 170707449
4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]aniline
CID 59322784
[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-indol-5-yl]methanamine
CID 103386804
2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole
CID 151930953
2-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)-1H-imidazole
CID 170633066
3-(2-aminophenyl)pyridin-2-amine
CID 130114605
2-[3-(methoxymethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole
CID 22759806
2-(4-bromo-2-ethoxyphenyl)-5-(trifluoromethyl)-1H-imidazole
CID 170092769
1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-amine
CID 43649883

Frequently Asked Questions

What is the IUPAC name of 3-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-amine?
The IUPAC name of 3-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-amine (CID 102970472) is 3-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-amine is Nc1ncccc1-c1ncc(C(F)(F)F)[nH]1.
What is the InChIKey of 3-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-amine?
The InChIKey is VHWYSPSZWODFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4/c10-9(11,12)6-4-15-8(16-6)5-2-1-3-14-7(5)13/h1-4H,(H2,13,14)(H,15,16).
What are the key properties of 3-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-amine?
3-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-amine has a molecular weight of 228.18 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 102970472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).