3-chloro-5-methyl-2-phenyl-4H-diazaphosphole

C9H10ClN2P — CID 15445908

IUPAC3-chloro-5-methyl-2-phenyl-4H-diazaphosphole
SMILESCC1=NN(c2ccccc2)P(Cl)C1
InChIInChI=1S/C9H10ClN2P/c1-8-7-13(10)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyNSGUBZMPDPTNPQ-UHFFFAOYSA-N
MW212.62 g/mol
LogP3.43
Rot. Bonds1

About 3-chloro-5-methyl-2-phenyl-4H-diazaphosphole

3-chloro-5-methyl-2-phenyl-4H-diazaphosphole (PubChem CID 15445908) has the molecular formula C9H10ClN2P and a molecular weight of 212.62 g/mol. Its IUPAC name is 3-chloro-5-methyl-2-phenyl-4H-diazaphosphole.

Molecular Properties

Compound Name3-chloro-5-methyl-2-phenyl-4H-diazaphosphole
PubChem CID15445908
Molecular FormulaC9H10ClN2P
Molecular Weight212.62 g/mol
Exact Mass212.03
IUPAC Name3-chloro-5-methyl-2-phenyl-4H-diazaphosphole
SMILESCC1=NN(c2ccccc2)P(Cl)C1
InChIInChI=1S/C9H10ClN2P/c1-8-7-13(10)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyNSGUBZMPDPTNPQ-UHFFFAOYSA-N
XLogP3.43
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.62
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Propanone, 2-phenylhydrazone
CID 66026
2-Butanone, 2-phenylhydrazone
CID 9576180
Butan-2-one phenylhydrazone
CID 101985
Cyclopentanone phenylhydrazone
CID 12301304
2H-1,2,3-Diazaphosphole, 5-methyl-2-phenyl-
CID 2784572
n-[1-Methyl-prop-(e)-ylidene]-n'-phenyl-hydrazine
CID 5484472
N-[(E)-hexan-2-ylideneamino]aniline
CID 12140381
Diethyl ketone phenylhydrazone
CID 13082670
(1Z)-N-phenylethanehydrazonoyl chloride
CID 20577190
Methyl propyl ketone phenyl-hydrazone
CID 85794596
N-[fluoro(dimethyl)silyl]-N-(propan-2-ylideneamino)aniline
CID 12500096
2-(4-Fluorophenyl)-5-methyldiazaphosphole
CID 138655007

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-2-phenyl-4H-diazaphosphole?
The IUPAC name of 3-chloro-5-methyl-2-phenyl-4H-diazaphosphole (CID 15445908) is 3-chloro-5-methyl-2-phenyl-4H-diazaphosphole.
What is the SMILES notation for 3-chloro-5-methyl-2-phenyl-4H-diazaphosphole?
The canonical SMILES for 3-chloro-5-methyl-2-phenyl-4H-diazaphosphole is CC1=NN(c2ccccc2)P(Cl)C1.
What is the InChIKey of 3-chloro-5-methyl-2-phenyl-4H-diazaphosphole?
The InChIKey is NSGUBZMPDPTNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN2P/c1-8-7-13(10)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of 3-chloro-5-methyl-2-phenyl-4H-diazaphosphole?
3-chloro-5-methyl-2-phenyl-4H-diazaphosphole has a molecular weight of 212.62 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-2-phenyl-4H-diazaphosphole is sourced from PubChem (CID 15445908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).