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

C14H10Cl2F2IN4PS — CID 142334712

IUPAC5-chloro-N-(4-chloro-2-methylsulfanylphenyl)-2-(difluoromethyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine
SMILESCSc1cc(Cl)ccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2PI
InChIInChI=1S/C14H10Cl2F2IN4PS/c1-25-9-4-6(15)2-3-7(9)20-8-5-10(16)21-13-11(8)22-14(12(17)18)23(13)24-19/h2-5,12,24H,1H3,(H,20,21)
InChIKeyGJIXATMSSLRYPW-UHFFFAOYSA-N
MW533.11 g/mol
LogP6.93
Rot. Bonds5

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

5-chloro-N-(4-chloro-2-methylsulfanylphenyl)-2-(difluoromethyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine (PubChem CID 142334712) has the molecular formula C14H10Cl2F2IN4PS and a molecular weight of 533.11 g/mol. Its IUPAC name is 5-chloro-N-(4-chloro-2-methylsulfanylphenyl)-2-(difluoromethyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(4-chloro-2-methylsulfanylphenyl)-2-(difluoromethyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine
PubChem CID142334712
Molecular FormulaC14H10Cl2F2IN4PS
Molecular Weight533.11 g/mol
Exact Mass531.88
IUPAC Name5-chloro-N-(4-chloro-2-methylsulfanylphenyl)-2-(difluoromethyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine
SMILESCSc1cc(Cl)ccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2PI
InChIInChI=1S/C14H10Cl2F2IN4PS/c1-25-9-4-6(15)2-3-7(9)20-8-5-10(16)21-13-11(8)22-14(12(17)18)23(13)24-19/h2-5,12,24H,1H3,(H,20,21)
InChIKeyGJIXATMSSLRYPW-UHFFFAOYSA-N
XLogP6.93
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.11
LogP ≤ 56.93
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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Related Compounds

CID 134455723
CID 134455723
CID 142334043
CID 142334043
CID 142334055
CID 142334055
CID 142334183
CID 142334183
CID 142334254
CID 142334254
CID 142334261
CID 142334261
CID 142334316
CID 142334316
CID 142334320
CID 142334320
CID 142334402
CID 142334402
CID 142334410
CID 142334410
CID 142334417
CID 142334417
CID 142334470
CID 142334470

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-chloro-2-methylsulfanylphenyl)-2-(difluoromethyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-chloro-N-(4-chloro-2-methylsulfanylphenyl)-2-(difluoromethyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine (CID 142334712) is 5-chloro-N-(4-chloro-2-methylsulfanylphenyl)-2-(difluoromethyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-chloro-N-(4-chloro-2-methylsulfanylphenyl)-2-(difluoromethyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-chloro-N-(4-chloro-2-methylsulfanylphenyl)-2-(difluoromethyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine is CSc1cc(Cl)ccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2PI.
What is the InChIKey of 5-chloro-N-(4-chloro-2-methylsulfanylphenyl)-2-(difluoromethyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine?
The InChIKey is GJIXATMSSLRYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2IN4PS/c1-25-9-4-6(15)2-3-7(9)20-8-5-10(16)21-13-11(8)22-14(12(17)18)23(13)24-19/h2-5,12,24H,1H3,(H,20,21).
What are the key properties of 5-chloro-N-(4-chloro-2-methylsulfanylphenyl)-2-(difluoromethyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine?
5-chloro-N-(4-chloro-2-methylsulfanylphenyl)-2-(difluoromethyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine has a molecular weight of 533.11 g/mol, XLogP of 6.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-chloro-2-methylsulfanylphenyl)-2-(difluoromethyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 142334712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).