6-bromo-1-iodophosphanylindazole-4-carbaldehyde

C8H5BrIN2OP — CID 176566875

IUPAC6-bromo-1-iodophosphanylindazole-4-carbaldehyde
SMILESO=Cc1cc(Br)cc2c1cnn2PI
InChIInChI=1S/C8H5BrIN2OP/c9-6-1-5(4-13)7-3-11-12(14-10)8(7)2-6/h1-4,14H
InChIKeyNZBALPFDXVMXSN-UHFFFAOYSA-N
MW382.92 g/mol
LogP3.40
Rot. Bonds2

About 6-bromo-1-iodophosphanylindazole-4-carbaldehyde

6-bromo-1-iodophosphanylindazole-4-carbaldehyde (PubChem CID 176566875) has the molecular formula C8H5BrIN2OP and a molecular weight of 382.92 g/mol. Its IUPAC name is 6-bromo-1-iodophosphanylindazole-4-carbaldehyde.

Molecular Properties

Compound Name6-bromo-1-iodophosphanylindazole-4-carbaldehyde
PubChem CID176566875
Molecular FormulaC8H5BrIN2OP
Molecular Weight382.92 g/mol
Exact Mass381.84
IUPAC Name6-bromo-1-iodophosphanylindazole-4-carbaldehyde
SMILESO=Cc1cc(Br)cc2c1cnn2PI
InChIInChI=1S/C8H5BrIN2OP/c9-6-1-5(4-13)7-3-11-12(14-10)8(7)2-6/h1-4,14H
InChIKeyNZBALPFDXVMXSN-UHFFFAOYSA-N
XLogP3.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.92
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 176974593
CID 176974593
(4-bromo-6-chloroindazol-1-yl)-iodophosphane;cyclopropane;ethanol
CID 177329741
3,5-dibromo-2-methoxybenzaldehyde
CID 1494335
4-bromo-1-methylindazole-5-carbaldehyde
CID 117109426
5-bromo-3-methyl-2-propan-2-yloxybenzaldehyde
CID 83901418
(5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)-iodophosphane;ethane
CID 166137712
5-bromo-2-(4-methylpyrazol-1-yl)benzaldehyde
CID 84711366
(5-bromo-3-methylpyrazolo[3,4-c]pyridin-1-yl)-iodophosphane;ethane
CID 164538638
5-bromo-2,3-diethoxybenzaldehyde
CID 100582069
(5-bromo-3-ethenylindazol-1-yl)-iodophosphane
CID 170617964
5-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-methylbenzaldehyde
CID 115961904
3,5-dibromo-2-propoxybenzaldehyde
CID 2167921

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-iodophosphanylindazole-4-carbaldehyde?
The IUPAC name of 6-bromo-1-iodophosphanylindazole-4-carbaldehyde (CID 176566875) is 6-bromo-1-iodophosphanylindazole-4-carbaldehyde.
What is the SMILES notation for 6-bromo-1-iodophosphanylindazole-4-carbaldehyde?
The canonical SMILES for 6-bromo-1-iodophosphanylindazole-4-carbaldehyde is O=Cc1cc(Br)cc2c1cnn2PI.
What is the InChIKey of 6-bromo-1-iodophosphanylindazole-4-carbaldehyde?
The InChIKey is NZBALPFDXVMXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrIN2OP/c9-6-1-5(4-13)7-3-11-12(14-10)8(7)2-6/h1-4,14H.
What are the key properties of 6-bromo-1-iodophosphanylindazole-4-carbaldehyde?
6-bromo-1-iodophosphanylindazole-4-carbaldehyde has a molecular weight of 382.92 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-iodophosphanylindazole-4-carbaldehyde is sourced from PubChem (CID 176566875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).