5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-7-amine

C14H11ClF2IN4PS — CID 142334320

IUPAC5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-7-amine
SMILESCSc1ccccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2PI
InChIInChI=1S/C14H11ClF2IN4PS/c1-24-9-5-3-2-4-7(9)19-8-6-10(15)20-13-11(8)21-14(12(16)17)22(13)23-18/h2-6,12,23H,1H3,(H,19,20)
InChIKeyMMYMCVRXFMHIHM-UHFFFAOYSA-N
MW498.66 g/mol
LogP6.28
Rot. Bonds5

About 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-7-amine

5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-7-amine (PubChem CID 142334320) has the molecular formula C14H11ClF2IN4PS and a molecular weight of 498.66 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-7-amine
PubChem CID142334320
Molecular FormulaC14H11ClF2IN4PS
Molecular Weight498.66 g/mol
Exact Mass497.91
IUPAC Name5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-7-amine
SMILESCSc1ccccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2PI
InChIInChI=1S/C14H11ClF2IN4PS/c1-24-9-5-3-2-4-7(9)19-8-6-10(15)20-13-11(8)21-14(12(16)17)22(13)23-18/h2-6,12,23H,1H3,(H,19,20)
InChIKeyMMYMCVRXFMHIHM-UHFFFAOYSA-N
XLogP6.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.66
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-7-amine (CID 142334320) is 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-7-amine is CSc1ccccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2PI.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-7-amine?
The InChIKey is MMYMCVRXFMHIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2IN4PS/c1-24-9-5-3-2-4-7(9)19-8-6-10(15)20-13-11(8)21-14(12(16)17)22(13)23-18/h2-6,12,23H,1H3,(H,19,20).
What are the key properties of 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-7-amine?
5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-7-amine has a molecular weight of 498.66 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 142334320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).