(4-bromo-6-chloroindazol-1-yl)-iodophosphane;cyclopropane;ethanol

C12H16BrClIN2OP — CID 177329741

IUPAC(4-bromo-6-chloroindazol-1-yl)-iodophosphane;cyclopropane;ethanol
SMILESC1CC1.CCO.Clc1cc(Br)c2cnn(PI)c2c1
InChIInChI=1S/C7H4BrClIN2P.C3H6.C2H6O/c8-6-1-4(9)2-7-5(6)3-11-12(7)13-10;1-2-3-1;1-2-3/h1-3,13H;1-3H2;3H,2H2,1H3
InChIKeyZWSQDOIHCGVTOW-UHFFFAOYSA-N
MW477.51 g/mol
LogP5.41
Rot. Bonds1

About (4-bromo-6-chloroindazol-1-yl)-iodophosphane;cyclopropane;ethanol

(4-bromo-6-chloroindazol-1-yl)-iodophosphane;cyclopropane;ethanol (PubChem CID 177329741) has the molecular formula C12H16BrClIN2OP and a molecular weight of 477.51 g/mol. Its IUPAC name is (4-bromo-6-chloroindazol-1-yl)-iodophosphane;cyclopropane;ethanol.

Molecular Properties

Compound Name(4-bromo-6-chloroindazol-1-yl)-iodophosphane;cyclopropane;ethanol
PubChem CID177329741
Molecular FormulaC12H16BrClIN2OP
Molecular Weight477.51 g/mol
Exact Mass475.89
IUPAC Name(4-bromo-6-chloroindazol-1-yl)-iodophosphane;cyclopropane;ethanol
SMILESC1CC1.CCO.Clc1cc(Br)c2cnn(PI)c2c1
InChIInChI=1S/C7H4BrClIN2P.C3H6.C2H6O/c8-6-1-4(9)2-7-5(6)3-11-12(7)13-10;1-2-3-1;1-2-3/h1-3,13H;1-3H2;3H,2H2,1H3
InChIKeyZWSQDOIHCGVTOW-UHFFFAOYSA-N
XLogP5.41
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.51
LogP ≤ 55.41
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (4-bromo-6-chloroindazol-1-yl)-iodophosphane;cyclopropane;ethanol?
The IUPAC name of (4-bromo-6-chloroindazol-1-yl)-iodophosphane;cyclopropane;ethanol (CID 177329741) is (4-bromo-6-chloroindazol-1-yl)-iodophosphane;cyclopropane;ethanol.
What is the SMILES notation for (4-bromo-6-chloroindazol-1-yl)-iodophosphane;cyclopropane;ethanol?
The canonical SMILES for (4-bromo-6-chloroindazol-1-yl)-iodophosphane;cyclopropane;ethanol is C1CC1.CCO.Clc1cc(Br)c2cnn(PI)c2c1.
What is the InChIKey of (4-bromo-6-chloroindazol-1-yl)-iodophosphane;cyclopropane;ethanol?
The InChIKey is ZWSQDOIHCGVTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClIN2P.C3H6.C2H6O/c8-6-1-4(9)2-7-5(6)3-11-12(7)13-10;1-2-3-1;1-2-3/h1-3,13H;1-3H2;3H,2H2,1H3.
What are the key properties of (4-bromo-6-chloroindazol-1-yl)-iodophosphane;cyclopropane;ethanol?
(4-bromo-6-chloroindazol-1-yl)-iodophosphane;cyclopropane;ethanol has a molecular weight of 477.51 g/mol, XLogP of 5.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-6-chloroindazol-1-yl)-iodophosphane;cyclopropane;ethanol is sourced from PubChem (CID 177329741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).