[5-chloro-2-(difluoromethyl)-7-propan-2-ylimidazo[4,5-b]pyridin-3-yl]-iodophosphane

C10H10ClF2IN3P — CID 142334082

IUPAC[5-chloro-2-(difluoromethyl)-7-propan-2-ylimidazo[4,5-b]pyridin-3-yl]-iodophosphane
SMILESCC(C)c1cc(Cl)nc2c1nc(C(F)F)n2PI
InChIInChI=1S/C10H10ClF2IN3P/c1-4(2)5-3-6(11)15-9-7(5)16-10(8(12)13)17(9)18-14/h3-4,8,18H,1-2H3
InChIKeyIUECLYWMDBXGNO-UHFFFAOYSA-N
MW403.54 g/mol
LogP4.94
Rot. Bonds3

About [5-chloro-2-(difluoromethyl)-7-propan-2-ylimidazo[4,5-b]pyridin-3-yl]-iodophosphane

[5-chloro-2-(difluoromethyl)-7-propan-2-ylimidazo[4,5-b]pyridin-3-yl]-iodophosphane (PubChem CID 142334082) has the molecular formula C10H10ClF2IN3P and a molecular weight of 403.54 g/mol. Its IUPAC name is [5-chloro-2-(difluoromethyl)-7-propan-2-ylimidazo[4,5-b]pyridin-3-yl]-iodophosphane.

Molecular Properties

Compound Name[5-chloro-2-(difluoromethyl)-7-propan-2-ylimidazo[4,5-b]pyridin-3-yl]-iodophosphane
PubChem CID142334082
Molecular FormulaC10H10ClF2IN3P
Molecular Weight403.54 g/mol
Exact Mass402.93
IUPAC Name[5-chloro-2-(difluoromethyl)-7-propan-2-ylimidazo[4,5-b]pyridin-3-yl]-iodophosphane
SMILESCC(C)c1cc(Cl)nc2c1nc(C(F)F)n2PI
InChIInChI=1S/C10H10ClF2IN3P/c1-4(2)5-3-6(11)15-9-7(5)16-10(8(12)13)17(9)18-14/h3-4,8,18H,1-2H3
InChIKeyIUECLYWMDBXGNO-UHFFFAOYSA-N
XLogP4.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.54
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine;ethane
CID 142334409
5-chloro-N-(4-chloro-2-methylsulfanylphenyl)-2-(difluoromethyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine
CID 142334712
5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]imidazo[4,5-b]pyridin-7-amine;ethane
CID 142334704
5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-7-amine;ethane;oxane
CID 142334795
5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfanylphenyl]-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine;ethane
CID 142335052
5-chloro-2-(difluoromethyl)-N-[4-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-methylsulfanylphenyl]-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine
CID 142334567
5-chloro-2-(difluoromethyl)-N-[4-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]-2-methylsulfanylphenyl]-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine;ethane
CID 142334852
N-[2-(difluoromethyl)-3-iodophosphanyl-7-[4-(1-methoxyethyl)-2-methylsulfanylanilino]imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;ethane
CID 142334860
5-chloro-3-iodophosphanyl-2-methyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine
CID 142334449
5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
CID 145163887
5-chloro-3-iodophosphanyl-2-methyl-N-[4-(1-methylimidazol-4-yl)-2-methylsulfanylphenyl]imidazo[4,5-b]pyridin-7-amine
CID 142334162
3,6-dichloro-4-(difluoromethyl)-2-fluoropyridine
CID 130099205

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(difluoromethyl)-7-propan-2-ylimidazo[4,5-b]pyridin-3-yl]-iodophosphane?
The IUPAC name of [5-chloro-2-(difluoromethyl)-7-propan-2-ylimidazo[4,5-b]pyridin-3-yl]-iodophosphane (CID 142334082) is [5-chloro-2-(difluoromethyl)-7-propan-2-ylimidazo[4,5-b]pyridin-3-yl]-iodophosphane.
What is the SMILES notation for [5-chloro-2-(difluoromethyl)-7-propan-2-ylimidazo[4,5-b]pyridin-3-yl]-iodophosphane?
The canonical SMILES for [5-chloro-2-(difluoromethyl)-7-propan-2-ylimidazo[4,5-b]pyridin-3-yl]-iodophosphane is CC(C)c1cc(Cl)nc2c1nc(C(F)F)n2PI.
What is the InChIKey of [5-chloro-2-(difluoromethyl)-7-propan-2-ylimidazo[4,5-b]pyridin-3-yl]-iodophosphane?
The InChIKey is IUECLYWMDBXGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2IN3P/c1-4(2)5-3-6(11)15-9-7(5)16-10(8(12)13)17(9)18-14/h3-4,8,18H,1-2H3.
What are the key properties of [5-chloro-2-(difluoromethyl)-7-propan-2-ylimidazo[4,5-b]pyridin-3-yl]-iodophosphane?
[5-chloro-2-(difluoromethyl)-7-propan-2-ylimidazo[4,5-b]pyridin-3-yl]-iodophosphane has a molecular weight of 403.54 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(difluoromethyl)-7-propan-2-ylimidazo[4,5-b]pyridin-3-yl]-iodophosphane is sourced from PubChem (CID 142334082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).