CID 143372635

C10H12IN — CID 143372635

IUPAC—
SMILES[CH2]c1cc2c(cc1I)NCC=C2.[H].[H][H]
InChIInChI=1S/C10H9IN.H2.H/c1-7-5-8-3-2-4-12-10(8)6-9(7)11;;/h2-3,5-6,12H,1,4H2;1H;
InChIKeyFYLRBKUDUZOZTL-UHFFFAOYSA-N
MW273.12 g/mol
LogP3.27
Rot. Bonds

About CID 143372635

CID 143372635 (PubChem CID 143372635) has the molecular formula C10H12IN and a molecular weight of 273.12 g/mol.

Molecular Properties

Compound NameCID 143372635
PubChem CID143372635
Molecular FormulaC10H12IN
Molecular Weight273.12 g/mol
Exact Mass273.00
IUPAC Name—
SMILES[CH2]c1cc2c(cc1I)NCC=C2.[H].[H][H]
InChIInChI=1S/C10H9IN.H2.H/c1-7-5-8-3-2-4-12-10(8)6-9(7)11;;/h2-3,5-6,12H,1,4H2;1H;
InChIKeyFYLRBKUDUZOZTL-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 143372635?
The IUPAC name of CID 143372635 (CID 143372635) is not available.
What is the SMILES notation for CID 143372635?
The canonical SMILES for CID 143372635 is [CH2]c1cc2c(cc1I)NCC=C2.[H].[H][H].
What is the InChIKey of CID 143372635?
The InChIKey is FYLRBKUDUZOZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN.H2.H/c1-7-5-8-3-2-4-12-10(8)6-9(7)11;;/h2-3,5-6,12H,1,4H2;1H;.
What are the key properties of CID 143372635?
CID 143372635 has a molecular weight of 273.12 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143372635 is sourced from PubChem (CID 143372635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).