iodo-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methoxy]phosphane

C9H14IN2OP — CID 155019652

IUPACiodo-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methoxy]phosphane
SMILESCc1c(COPI)nn2c1CCCC2
InChIInChI=1S/C9H14IN2OP/c1-7-8(6-13-14-10)11-12-5-3-2-4-9(7)12/h14H,2-6H2,1H3
InChIKeyJMGBFVXYIOGSAN-UHFFFAOYSA-N
MW324.10 g/mol
LogP2.99
Rot. Bonds3

About iodo-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methoxy]phosphane

iodo-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methoxy]phosphane (PubChem CID 155019652) has the molecular formula C9H14IN2OP and a molecular weight of 324.10 g/mol. Its IUPAC name is iodo-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methoxy]phosphane.

Molecular Properties

Compound Nameiodo-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methoxy]phosphane
PubChem CID155019652
Molecular FormulaC9H14IN2OP
Molecular Weight324.10 g/mol
Exact Mass323.99
IUPAC Nameiodo-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methoxy]phosphane
SMILESCc1c(COPI)nn2c1CCCC2
InChIInChI=1S/C9H14IN2OP/c1-7-8(6-13-14-10)11-12-5-3-2-4-9(7)12/h14H,2-6H2,1H3
InChIKeyJMGBFVXYIOGSAN-UHFFFAOYSA-N
XLogP2.99
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.10
LogP ≤ 52.99
H-Bond Donors ≤ 50
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 iodo-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methoxy]phosphane?
The IUPAC name of iodo-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methoxy]phosphane (CID 155019652) is iodo-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methoxy]phosphane.
What is the SMILES notation for iodo-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methoxy]phosphane?
The canonical SMILES for iodo-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methoxy]phosphane is Cc1c(COPI)nn2c1CCCC2.
What is the InChIKey of iodo-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methoxy]phosphane?
The InChIKey is JMGBFVXYIOGSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN2OP/c1-7-8(6-13-14-10)11-12-5-3-2-4-9(7)12/h14H,2-6H2,1H3.
What are the key properties of iodo-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methoxy]phosphane?
iodo-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methoxy]phosphane has a molecular weight of 324.10 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methoxy]phosphane is sourced from PubChem (CID 155019652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).