2-(iodomethyl)indolizine-1-carbonitrile

C10H7IN2 — CID 64786804

IUPAC2-(iodomethyl)indolizine-1-carbonitrile
SMILESN#Cc1c(CI)cn2ccccc12
InChIInChI=1S/C10H7IN2/c11-5-8-7-13-4-2-1-3-10(13)9(8)6-12/h1-4,7H,5H2
InChIKeyJVCDLLWQVDANHH-UHFFFAOYSA-N
MW282.08 g/mol
LogP2.75
Rot. Bonds1

About 2-(iodomethyl)indolizine-1-carbonitrile

2-(iodomethyl)indolizine-1-carbonitrile (PubChem CID 64786804) has the molecular formula C10H7IN2 and a molecular weight of 282.08 g/mol. Its IUPAC name is 2-(iodomethyl)indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-(iodomethyl)indolizine-1-carbonitrile
PubChem CID64786804
Molecular FormulaC10H7IN2
Molecular Weight282.08 g/mol
Exact Mass281.97
IUPAC Name2-(iodomethyl)indolizine-1-carbonitrile
SMILESN#Cc1c(CI)cn2ccccc12
InChIInChI=1S/C10H7IN2/c11-5-8-7-13-4-2-1-3-10(13)9(8)6-12/h1-4,7H,5H2
InChIKeyJVCDLLWQVDANHH-UHFFFAOYSA-N
XLogP2.75
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.08
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)indolizine-1-carbonitrile?
The IUPAC name of 2-(iodomethyl)indolizine-1-carbonitrile (CID 64786804) is 2-(iodomethyl)indolizine-1-carbonitrile.
What is the SMILES notation for 2-(iodomethyl)indolizine-1-carbonitrile?
The canonical SMILES for 2-(iodomethyl)indolizine-1-carbonitrile is N#Cc1c(CI)cn2ccccc12.
What is the InChIKey of 2-(iodomethyl)indolizine-1-carbonitrile?
The InChIKey is JVCDLLWQVDANHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IN2/c11-5-8-7-13-4-2-1-3-10(13)9(8)6-12/h1-4,7H,5H2.
What are the key properties of 2-(iodomethyl)indolizine-1-carbonitrile?
2-(iodomethyl)indolizine-1-carbonitrile has a molecular weight of 282.08 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)indolizine-1-carbonitrile is sourced from PubChem (CID 64786804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).