(5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)-iodophosphane;ethane

C9H12BrIN3P — CID 166137712

IUPAC(5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)-iodophosphane;ethane
SMILESCC.Cc1nn(PI)c2ncc(Br)cc12
InChIInChI=1S/C7H6BrIN3P.C2H6/c1-4-6-2-5(8)3-10-7(6)12(11-4)13-9;1-2/h2-3,13H,1H3;1-2H3
InChIKeyHIFULSFYTWTAPY-UHFFFAOYSA-N
MW400.00 g/mol
LogP4.32
Rot. Bonds1

About (5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)-iodophosphane;ethane

(5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)-iodophosphane;ethane (PubChem CID 166137712) has the molecular formula C9H12BrIN3P and a molecular weight of 400.00 g/mol. Its IUPAC name is (5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)-iodophosphane;ethane.

Molecular Properties

Compound Name(5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)-iodophosphane;ethane
PubChem CID166137712
Molecular FormulaC9H12BrIN3P
Molecular Weight400.00 g/mol
Exact Mass398.90
IUPAC Name(5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)-iodophosphane;ethane
SMILESCC.Cc1nn(PI)c2ncc(Br)cc12
InChIInChI=1S/C7H6BrIN3P.C2H6/c1-4-6-2-5(8)3-10-7(6)12(11-4)13-9;1-2/h2-3,13H,1H3;1-2H3
InChIKeyHIFULSFYTWTAPY-UHFFFAOYSA-N
XLogP4.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.00
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-3-methylpyrazolo[3,4-c]pyridin-1-yl)-iodophosphane;ethane
CID 164538638
5-bromo-3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridine
CID 155288997
2,6-dibromo-4-methylpyrido[2,3-d]pyrimidine
CID 133055440
5-bromo-3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine
CID 70115518
tert-butyl 5-bromo-3-methylpyrrolo[2,3-b]pyridine-1-carboxylate
CID 73013576
1-bromo-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanesulfonamide
CID 83093269
5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane
CID 145223715
5-bromo-1-ethyl-3-phenylpyrazolo[5,4-b]pyridine
CID 143347890
N'-(5-bromo-2-methyl-3-pyridinyl)-N-ethyl-N-methylmethanimidamide
CID 154629455
1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride
CID 45081942
3-bromo-5,7-dimethylquinoline
CID 102493298
3,5,7-tribromoquinoline
CID 171475874

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)-iodophosphane;ethane?
The IUPAC name of (5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)-iodophosphane;ethane (CID 166137712) is (5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)-iodophosphane;ethane.
What is the SMILES notation for (5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)-iodophosphane;ethane?
The canonical SMILES for (5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)-iodophosphane;ethane is CC.Cc1nn(PI)c2ncc(Br)cc12.
What is the InChIKey of (5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)-iodophosphane;ethane?
The InChIKey is HIFULSFYTWTAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrIN3P.C2H6/c1-4-6-2-5(8)3-10-7(6)12(11-4)13-9;1-2/h2-3,13H,1H3;1-2H3.
What are the key properties of (5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)-iodophosphane;ethane?
(5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)-iodophosphane;ethane has a molecular weight of 400.00 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)-iodophosphane;ethane is sourced from PubChem (CID 166137712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).