6-(1,1-difluoroethyl)-3-methyl-5-methylidene-4H-imidazo[4,5-b]pyridine

C10H11F2N3 — CID 163494157

IUPAC6-(1,1-difluoroethyl)-3-methyl-5-methylidene-4H-imidazo[4,5-b]pyridine
SMILESC=C1Nc2c(ncn2C)C=C1C(C)(F)F
InChIInChI=1S/C10H11F2N3/c1-6-7(10(2,11)12)4-8-9(14-6)15(3)5-13-8/h4-5,14H,1H2,2-3H3
InChIKeyCPFZXSBCLQBMPI-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.40
Rot. Bonds1

About 6-(1,1-difluoroethyl)-3-methyl-5-methylidene-4H-imidazo[4,5-b]pyridine

6-(1,1-difluoroethyl)-3-methyl-5-methylidene-4H-imidazo[4,5-b]pyridine (PubChem CID 163494157) has the molecular formula C10H11F2N3 and a molecular weight of 211.21 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-3-methyl-5-methylidene-4H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-3-methyl-5-methylidene-4H-imidazo[4,5-b]pyridine
PubChem CID163494157
Molecular FormulaC10H11F2N3
Molecular Weight211.21 g/mol
Exact Mass211.09
IUPAC Name6-(1,1-difluoroethyl)-3-methyl-5-methylidene-4H-imidazo[4,5-b]pyridine
SMILESC=C1Nc2c(ncn2C)C=C1C(C)(F)F
InChIInChI=1S/C10H11F2N3/c1-6-7(10(2,11)12)4-8-9(14-6)15(3)5-13-8/h4-5,14H,1H2,2-3H3
InChIKeyCPFZXSBCLQBMPI-UHFFFAOYSA-N
XLogP2.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(Z)-but-1-enyl]-3-ethylimidazol-4-amine
CID 163674915
1,2,5-trimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazole
CID 126580879
Ethane;1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine
CID 142222860
N-[3-methyl-2-propan-2-yl-5-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazol-4-yl]methanimine
CID 146647094
2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-5-methylidene-6-(trifluoromethyl)-4H-imidazo[4,5-b]pyridine;zinc
CID 149155052
7-Methyl-3-(trifluoromethyl)-1,2-dihydroimidazo[4,5-c]pyridazine
CID 153560620
2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-5-methylidene-6-(1,1,2,2,2-pentafluoroethyl)-4H-imidazo[4,5-b]pyridine;zinc
CID 153560637
1-methyl-4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-2-(trifluoromethyl)imidazole
CID 162378380
5-Methyl-7-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyridine
CID 163662696
1-(3,5-Dimethyl-5,6-dihydroimidazo[1,5-a]pyridin-7-yl)-2,2,2-trifluoroethanimine
CID 167296068
1-Methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine
CID 142222861
4-ethenyl-5-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-imidazole
CID 144379604

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-3-methyl-5-methylidene-4H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-(1,1-difluoroethyl)-3-methyl-5-methylidene-4H-imidazo[4,5-b]pyridine (CID 163494157) is 6-(1,1-difluoroethyl)-3-methyl-5-methylidene-4H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-(1,1-difluoroethyl)-3-methyl-5-methylidene-4H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-(1,1-difluoroethyl)-3-methyl-5-methylidene-4H-imidazo[4,5-b]pyridine is C=C1Nc2c(ncn2C)C=C1C(C)(F)F.
What is the InChIKey of 6-(1,1-difluoroethyl)-3-methyl-5-methylidene-4H-imidazo[4,5-b]pyridine?
The InChIKey is CPFZXSBCLQBMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3/c1-6-7(10(2,11)12)4-8-9(14-6)15(3)5-13-8/h4-5,14H,1H2,2-3H3.
What are the key properties of 6-(1,1-difluoroethyl)-3-methyl-5-methylidene-4H-imidazo[4,5-b]pyridine?
6-(1,1-difluoroethyl)-3-methyl-5-methylidene-4H-imidazo[4,5-b]pyridine has a molecular weight of 211.21 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-3-methyl-5-methylidene-4H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 163494157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).