(5-bromo-3-ethenylindazol-1-yl)-iodophosphane

C9H7BrIN2P — CID 170617964

IUPAC(5-bromo-3-ethenylindazol-1-yl)-iodophosphane
SMILESC=Cc1nn(PI)c2ccc(Br)cc12
InChIInChI=1S/C9H7BrIN2P/c1-2-8-7-5-6(10)3-4-9(7)13(12-8)14-11/h2-5,14H,1H2
InChIKeyGYYVMYPZTZXJDJ-UHFFFAOYSA-N
MW380.95 g/mol
LogP4.23
Rot. Bonds2

About (5-bromo-3-ethenylindazol-1-yl)-iodophosphane

(5-bromo-3-ethenylindazol-1-yl)-iodophosphane (PubChem CID 170617964) has the molecular formula C9H7BrIN2P and a molecular weight of 380.95 g/mol. Its IUPAC name is (5-bromo-3-ethenylindazol-1-yl)-iodophosphane.

Molecular Properties

Compound Name(5-bromo-3-ethenylindazol-1-yl)-iodophosphane
PubChem CID170617964
Molecular FormulaC9H7BrIN2P
Molecular Weight380.95 g/mol
Exact Mass379.86
IUPAC Name(5-bromo-3-ethenylindazol-1-yl)-iodophosphane
SMILESC=Cc1nn(PI)c2ccc(Br)cc12
InChIInChI=1S/C9H7BrIN2P/c1-2-8-7-5-6(10)3-4-9(7)13(12-8)14-11/h2-5,14H,1H2
InChIKeyGYYVMYPZTZXJDJ-UHFFFAOYSA-N
XLogP4.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.95
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-1-iodophosphanyl-N-(oxan-4-yl)indazol-3-amine
CID 143953623
(5-bromo-3-methylpyrazolo[3,4-c]pyridin-1-yl)-iodophosphane;ethane
CID 164538638
N-(5-ethenyl-2-iodophosphanyl-4-methylpyrazol-3-yl)methanimine
CID 177341891
5-bromo-3-ethenyl-2-methyl-1-phenylindole
CID 123907696
(5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)-iodophosphane;ethane
CID 166137712
[5-[1,3-dimethyl-5-(1-pyrrolidin-2-ylethoxy)pyrazol-4-yl]-3-ethenylpyrazolo[3,4-c]pyridin-1-yl]-iodophosphane;ethane
CID 172573746
CID 161453199
CID 161453199
6-bromo-1-iodophosphanylindazole-4-carbaldehyde
CID 176566875
2-(5-bromo-3-methylindazol-1-yl)acetaldehyde
CID 83843834
(5-bromo-2-ethylbenzimidazol-1-yl)-iodophosphane
CID 177354823
6-bromo-1-methylindazole-3-carbaldehyde
CID 83912445
6-bromo-9-methylpyrido[2,3-b]indole
CID 19439810

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-ethenylindazol-1-yl)-iodophosphane?
The IUPAC name of (5-bromo-3-ethenylindazol-1-yl)-iodophosphane (CID 170617964) is (5-bromo-3-ethenylindazol-1-yl)-iodophosphane.
What is the SMILES notation for (5-bromo-3-ethenylindazol-1-yl)-iodophosphane?
The canonical SMILES for (5-bromo-3-ethenylindazol-1-yl)-iodophosphane is C=Cc1nn(PI)c2ccc(Br)cc12.
What is the InChIKey of (5-bromo-3-ethenylindazol-1-yl)-iodophosphane?
The InChIKey is GYYVMYPZTZXJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrIN2P/c1-2-8-7-5-6(10)3-4-9(7)13(12-8)14-11/h2-5,14H,1H2.
What are the key properties of (5-bromo-3-ethenylindazol-1-yl)-iodophosphane?
(5-bromo-3-ethenylindazol-1-yl)-iodophosphane has a molecular weight of 380.95 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-ethenylindazol-1-yl)-iodophosphane is sourced from PubChem (CID 170617964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).