N-methyl-2-(1,1,2,2-tetrafluoroethyl)-1H-imidazo[4,5-b]pyridin-5-amine

C9H8F4N4 — CID 79822033

IUPACN-methyl-2-(1,1,2,2-tetrafluoroethyl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(C(F)(F)C(F)F)nc2n1
InChIInChI=1S/C9H8F4N4/c1-14-5-3-2-4-6(16-5)17-8(15-4)9(12,13)7(10)11/h2-3,7H,1H3,(H2,14,15,16,17)
InChIKeyOZOHLXQWLNLICP-UHFFFAOYSA-N
MW248.18 g/mol
LogP2.36
Rot. Bonds3

About N-methyl-2-(1,1,2,2-tetrafluoroethyl)-1H-imidazo[4,5-b]pyridin-5-amine

N-methyl-2-(1,1,2,2-tetrafluoroethyl)-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79822033) has the molecular formula C9H8F4N4 and a molecular weight of 248.18 g/mol. Its IUPAC name is N-methyl-2-(1,1,2,2-tetrafluoroethyl)-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN-methyl-2-(1,1,2,2-tetrafluoroethyl)-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79822033
Molecular FormulaC9H8F4N4
Molecular Weight248.18 g/mol
Exact Mass248.07
IUPAC NameN-methyl-2-(1,1,2,2-tetrafluoroethyl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(C(F)(F)C(F)F)nc2n1
InChIInChI=1S/C9H8F4N4/c1-14-5-3-2-4-6(16-5)17-8(15-4)9(12,13)7(10)11/h2-3,7H,1H3,(H2,14,15,16,17)
InChIKeyOZOHLXQWLNLICP-UHFFFAOYSA-N
XLogP2.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.18
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-(1,1,2,2-tetrafluoroethyl)-1H-imidazo[4,5-b]pyridine
CID 81137371
N-methyl-2-[2-(methylamino)propan-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821379
2-(1-amino-2,2-dimethylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821815
2-ethyl-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821418
N-methyl-2-(2-piperidin-3-ylpropan-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 83197507
N-methyl-2-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821491
2-(4-aminobutan-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 80539697
3-amino-3-[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 79821202
N-methyl-2-(3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821675
4-fluoro-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole
CID 79660905
N-methyl-2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821248
5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine
CID 81136910

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,1,2,2-tetrafluoroethyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of N-methyl-2-(1,1,2,2-tetrafluoroethyl)-1H-imidazo[4,5-b]pyridin-5-amine (CID 79822033) is N-methyl-2-(1,1,2,2-tetrafluoroethyl)-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N-methyl-2-(1,1,2,2-tetrafluoroethyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for N-methyl-2-(1,1,2,2-tetrafluoroethyl)-1H-imidazo[4,5-b]pyridin-5-amine is CNc1ccc2[nH]c(C(F)(F)C(F)F)nc2n1.
What is the InChIKey of N-methyl-2-(1,1,2,2-tetrafluoroethyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is OZOHLXQWLNLICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N4/c1-14-5-3-2-4-6(16-5)17-8(15-4)9(12,13)7(10)11/h2-3,7H,1H3,(H2,14,15,16,17).
What are the key properties of N-methyl-2-(1,1,2,2-tetrafluoroethyl)-1H-imidazo[4,5-b]pyridin-5-amine?
N-methyl-2-(1,1,2,2-tetrafluoroethyl)-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 248.18 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,1,2,2-tetrafluoroethyl)-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79822033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).