1-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-c]pyridin-2-amine

C12H5F5N4 — CID 115564675

IUPAC1-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-c]pyridin-2-amine
SMILESNc1nc2cnccc2n1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H5F5N4/c13-6-7(14)9(16)11(10(17)8(6)15)21-5-1-2-19-3-4(5)20-12(21)18/h1-3H,(H2,18,20)
InChIKeyNGPAWIIUCGDHBW-UHFFFAOYSA-N
MW300.19 g/mol
LogP2.70
Rot. Bonds1

About 1-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-c]pyridin-2-amine

1-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-c]pyridin-2-amine (PubChem CID 115564675) has the molecular formula C12H5F5N4 and a molecular weight of 300.19 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-c]pyridin-2-amine
PubChem CID115564675
Molecular FormulaC12H5F5N4
Molecular Weight300.19 g/mol
Exact Mass300.04
IUPAC Name1-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-c]pyridin-2-amine
SMILESNc1nc2cnccc2n1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H5F5N4/c13-6-7(14)9(16)11(10(17)8(6)15)21-5-1-2-19-3-4(5)20-12(21)18/h1-3H,(H2,18,20)
InChIKeyNGPAWIIUCGDHBW-UHFFFAOYSA-N
XLogP2.70
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dichlorophenyl)imidazo[4,5-c]pyridin-2-amine
CID 79296259
1-quinolin-6-ylimidazo[4,5-c]pyridin-2-amine
CID 79271506
1-(2,5-dichlorophenyl)imidazo[4,5-c]pyridin-2-amine
CID 79295340
1-(1,3-benzothiazol-6-yl)imidazo[4,5-c]pyridin-2-amine
CID 107805987
1-(3-chloro-4-methoxyphenyl)imidazo[4,5-c]pyridin-2-amine
CID 79296335
2-[4-(2-aminoimidazo[4,5-c]pyridin-1-yl)phenyl]acetonitrile
CID 79296252
1-[3-(methoxymethyl)phenyl]imidazo[4,5-c]pyridin-2-amine
CID 79295531
1-(4-methoxy-2-methylphenyl)imidazo[4,5-c]pyridin-2-amine
CID 79295266
3-[1-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-amine
CID 58179546
1-(2-pyrrolidin-1-ylethyl)imidazo[4,5-c]pyridin-2-amine
CID 79296073
1-[2-(dimethylamino)-2-methylpropyl]imidazo[4,5-c]pyridin-2-amine
CID 79295803
1-hexan-3-ylimidazo[4,5-c]pyridin-2-amine
CID 79295628

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-c]pyridin-2-amine?
The IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-c]pyridin-2-amine (CID 115564675) is 1-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for 1-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for 1-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-c]pyridin-2-amine is Nc1nc2cnccc2n1-c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-c]pyridin-2-amine?
The InChIKey is NGPAWIIUCGDHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F5N4/c13-6-7(14)9(16)11(10(17)8(6)15)21-5-1-2-19-3-4(5)20-12(21)18/h1-3H,(H2,18,20).
What are the key properties of 1-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-c]pyridin-2-amine?
1-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-c]pyridin-2-amine has a molecular weight of 300.19 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 115564675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).