2-dichlorophosphanyloxy-7-methyl-6-nitro-1H-indole-3-carbaldehyde

C10H7Cl2N2O4P — CID 139887236

IUPAC2-dichlorophosphanyloxy-7-methyl-6-nitro-1H-indole-3-carbaldehyde
SMILESCc1c([N+](=O)[O-])ccc2c(C=O)c(OP(Cl)Cl)[nH]c12
InChIInChI=1S/C10H7Cl2N2O4P/c1-5-8(14(16)17)3-2-6-7(4-15)10(13-9(5)6)18-19(11)12/h2-4,13H,1H3
InChIKeyVBVGJGNMCFVIJD-UHFFFAOYSA-N
MW321.06 g/mol
LogP4.28
Rot. Bonds4

About 2-dichlorophosphanyloxy-7-methyl-6-nitro-1H-indole-3-carbaldehyde

2-dichlorophosphanyloxy-7-methyl-6-nitro-1H-indole-3-carbaldehyde (PubChem CID 139887236) has the molecular formula C10H7Cl2N2O4P and a molecular weight of 321.06 g/mol. Its IUPAC name is 2-dichlorophosphanyloxy-7-methyl-6-nitro-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-dichlorophosphanyloxy-7-methyl-6-nitro-1H-indole-3-carbaldehyde
PubChem CID139887236
Molecular FormulaC10H7Cl2N2O4P
Molecular Weight321.06 g/mol
Exact Mass319.95
IUPAC Name2-dichlorophosphanyloxy-7-methyl-6-nitro-1H-indole-3-carbaldehyde
SMILESCc1c([N+](=O)[O-])ccc2c(C=O)c(OP(Cl)Cl)[nH]c12
InChIInChI=1S/C10H7Cl2N2O4P/c1-5-8(14(16)17)3-2-6-7(4-15)10(13-9(5)6)18-19(11)12/h2-4,13H,1H3
InChIKeyVBVGJGNMCFVIJD-UHFFFAOYSA-N
XLogP4.28
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.06
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-methyl-3-nitrobenzaldehyde
CID 130848770
3-chloro-2-methyl-6-nitrobenzaldehyde
CID 130966517
2-chloro-6-methyl-3-nitrobenzaldehyde
CID 119014184
methyl 2-formyl-3-methyl-4-nitrobenzoate
CID 156780606
6-formyl-2-methyl-3-nitrobenzenesulfonyl chloride
CID 172969877
3-chloro-6-nitrophthalaldehyde
CID 171006758
2,4,8-trimethyl-7-nitroquinoline
CID 71342477
2-chloro-3-hydroxy-6-nitrobenzaldehyde
CID 13147354
7-chloro-2-methoxy-1H-indole-3-carbaldehyde
CID 82394981
2,5-dichloro-7-nitro-1H-indole-3-carbaldehyde
CID 3538847
N-(3-chloro-2-methyl-4-nitrophenyl)formamide
CID 168654498
2-fluoro-6-methoxy-3-nitrobenzaldehyde
CID 138561888

Frequently Asked Questions

What is the IUPAC name of 2-dichlorophosphanyloxy-7-methyl-6-nitro-1H-indole-3-carbaldehyde?
The IUPAC name of 2-dichlorophosphanyloxy-7-methyl-6-nitro-1H-indole-3-carbaldehyde (CID 139887236) is 2-dichlorophosphanyloxy-7-methyl-6-nitro-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-dichlorophosphanyloxy-7-methyl-6-nitro-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-dichlorophosphanyloxy-7-methyl-6-nitro-1H-indole-3-carbaldehyde is Cc1c([N+](=O)[O-])ccc2c(C=O)c(OP(Cl)Cl)[nH]c12.
What is the InChIKey of 2-dichlorophosphanyloxy-7-methyl-6-nitro-1H-indole-3-carbaldehyde?
The InChIKey is VBVGJGNMCFVIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N2O4P/c1-5-8(14(16)17)3-2-6-7(4-15)10(13-9(5)6)18-19(11)12/h2-4,13H,1H3.
What are the key properties of 2-dichlorophosphanyloxy-7-methyl-6-nitro-1H-indole-3-carbaldehyde?
2-dichlorophosphanyloxy-7-methyl-6-nitro-1H-indole-3-carbaldehyde has a molecular weight of 321.06 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dichlorophosphanyloxy-7-methyl-6-nitro-1H-indole-3-carbaldehyde is sourced from PubChem (CID 139887236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).